************************************************************************
********** REPORT OF PROTEIN ANALYSIS  by the WHAT IF program **********
************************************************************************

Date : 2024-02-04
This report was created by WHAT IF version WHATCHECK15.0

This document is a WHAT_CHECK 14.0 report for a PDB-file. Each reported
fact has an assigned severity, one of:

error  : Items marked as errors are considered severe problems requiring
         immediate attention.
warning: Either less severe problems or uncommon structural features. These
         still need special attention.
note   : Statistical values, plots, or other verbose results of tests and
         analyses that have been performed.

If alternate conformations are present, only the first is evaluated. Hydrogen
atoms are only included if explicitly requested, and even then they are not
used in all checks. The software functions less well for non-canonical amino
acids and exotic ligands than for the 20 canonical residues and canonical
nucleic acids.

Some remarks regarding the output:

Residues/atoms in tables are normally given in a few parts:

A number. This is the internal sequence number of the residue used by WHAT IF.
    The first residues in the file get number 1, 2, etc.
The residue type. Normally this is a three letter amino acid type.
The sequence number, between brackets. This is the residue number as it was
    given in the input file. It can be followed by the insertion code.
The chain identifier. A single character. If no chain identifier was given in
    the input file, this will be a minus sign or a blank.
A model number. If no model number exists, like in most X-ray files, this will
    be a blank or occasionally a minus sign.
In case an atom is part of the output, the atom will be listed using the PDB
    nomenclature for type and identifier.

To indicate the normality of a score, the score may be expressed as a Z-value
   or Z-score. This is just the number of standard deviations that the score
   deviates from the expected value. A property of Z-values is that the
   root-mean-square of a group of Z-values (the RMS Z-value) is expected to be
   1.0. Z-values above 4.0 and below -4.0 are very uncommon. If a Z-score is
   used in WHAT IF, the accompanying text will explain how the expected value
   and standard deviation were obtained.
The names of nucleic acids are DGUA, DTHY, OCYT, OADE, etc. The first character
   is a D or O for DNA or RNA respectively. This circumvents ambiguities in the
   many old PDB files in which DNA and RNA were both called A, C, G, and T.



=========================================
==== Compound code /zata/tempdir/2xap/wctemp_0cyc/2xap_0cyc.pdb     ====
=========================================
 
# 1 # Note: Introduction
WHAT CHECK needs to read a PDB file before it can check it. It does a
series of checks upon reading the file. The results of these checks are
reported in this section (section 2.1). The rest of the report will be more
systematic in that section 2.2 reports on administrative problems. Section
2.3 gives descriptive output that is not directly validating things but
more telling you how WHAT CHECK interpreted the input file. Section 2.4
looks at B-factors, occupancies, and the presence/absence of (spurious)
atoms. Section 2.5 deals with nomenclature problems. Section 2.6 deals with
geometric problems like bond lengths and bond angles. Section 2.7 deals with
torsion angle issues. Section 2.8 looks at atomic clashes. Section 2.9 deals
with packing, accessibility, etc, issues. Section 2.10 deals with hydrogen
bonds, ion packing, and other things that can be summarized under the common
name charge-charge interactions. Section 2.11 gives a summary of whole report
and tells you (if applicable) which symmetry matrices were used. Section 2.12
tells the crystallographer which are the things most in need of manual
correction. And the last section, section 2.13, lists all residues sorted
by their need for visual inspection in light of the electron density.
WARNING. Date error on HEADER card:
HEADER                                                        2XAP
 
# 2 # Note: Header records from PDB file
Header records from PDB file.
 
HEADER                                                        2XAP
 
# 3 # Error: Missing unit cell information
No SCALE matrix is given in the PDB file.
 
# 4 # Note: Proposal for corrected SCALE matrix
A corrected SCALE matrix has been derived.
 
Proposed scale matrix
  0.004465  0.002578  0.000000
  0.000000  0.005155  0.000000
  0.000000  0.000000  0.002976
 
# 5 # Note: Non crystallographic symmetry RMS plot
The plot shows the RMS differences between two similar chains on a residue-
by-residue basis. Individual "spikes" can be indicative of interesting or
wrong residues. If all residues show a high RMS value, the structure could
be incorrectly refined.
 
In the TeX file, a plot has been inserted here
 
Chain identifiers of the two chains: A and B
 
 All-atom RMS fit for the two chains : 0.301
 CA-only RMS fit for the two chains : 0.193
 
# 6 # Note: Non crystallographic symmetry backbone difference plot
The plot shows the differences in backbone torsion angles between two
similar chains on a residue-by-residue basis. Individual "spikes" can be
indicative of interesting or wrong residues. If all residues show high
differences, the structure could be incorrectly refined.
 
In the TeX file, a plot has been inserted here
 
Chain identifiers of the two chains: A and B
 
# 7 # Note: Non crystallographic symmetry RMS plot
The plot shows the RMS differences between two similar chains on a residue-
by-residue basis. Individual "spikes" can be indicative of interesting or
wrong residues. If all residues show a high RMS value, the structure could
be incorrectly refined.
 
In the TeX file, a plot has been inserted here
 
Chain identifiers of the two chains: A and C
 
 All-atom RMS fit for the two chains : 0.303
 CA-only RMS fit for the two chains : 0.220
 
# 8 # Note: Non crystallographic symmetry backbone difference plot
The plot shows the differences in backbone torsion angles between two
similar chains on a residue-by-residue basis. Individual "spikes" can be
indicative of interesting or wrong residues. If all residues show high
differences, the structure could be incorrectly refined.
 
In the TeX file, a plot has been inserted here
 
Chain identifiers of the two chains: A and C
 
# 9 # Note: Non crystallographic symmetry RMS plot
The plot shows the RMS differences between two similar chains on a residue-
by-residue basis. Individual "spikes" can be indicative of interesting or
wrong residues. If all residues show a high RMS value, the structure could
be incorrectly refined.
 
In the TeX file, a plot has been inserted here
 
Chain identifiers of the two chains: B and C
 
 All-atom RMS fit for the two chains : 0.302
 CA-only RMS fit for the two chains : 0.204
 
# 10 # Note: Non crystallographic symmetry backbone difference plot
The plot shows the differences in backbone torsion angles between two
similar chains on a residue-by-residue basis. Individual "spikes" can be
indicative of interesting or wrong residues. If all residues show high
differences, the structure could be incorrectly refined.
 
In the TeX file, a plot has been inserted here
 
Chain identifiers of the two chains: B and C
 
# 11 # Note: No crystallographic symmetry between molecules
No extra crystallographic symmetry was observed between the independent
molecules.
 
# 12 # Warning: Problem detected upon counting molecules and matrices
The parameter Z as given on the CRYST card represents the molecular
multiplicity in the crystallographic cell. Normally, Z equals the number of
matrices of the space group multiplied by the number of NCS relations. The
value of Z is multiplied by the integrated molecular weight of the molecules
in the file to determine the Matthews coefficient. This relation is being
validated in this option. Be aware that the validation can get confused if
both multiple copies of the molecule are present in the ATOM records and
MTRIX records are present in the header of the PDB file.
 
 Space group as read from CRYST card: H 3 2
 Number of matrices in space group: 18
 Highest polymer chain multiplicity in structure: 3
 Highest polymer chain multiplicity according to SEQRES: 3
 No explicit MTRIX NCS matrices found in the input file
 Value of Z as found on the CRYST1 card: 0
 Z is not OK, but the alternative Z gives the wrong Vm. You have a problem.
 
# 13 # Error: Matthews Coefficient (Vm) very high
 
The Matthews coefficient [REF] is defined as the density of the protein
structure in cubic Angstroms per Dalton. Normal values are between 1.5
(tightly packed, little room for solvent) and 4.0 (loosely packed, much
space for solvent). Some very loosely packed structures can get values a bit
higher than that.
 
Numbers this high are almost always caused by giving the wrong value for Z
on the CRYST1 card (or not giving this number at all).
 
 Molecular weight of all polymer chains: 6409.656
 Volume of the Unit Cell V= 14598876.0
 Space group multiplicity: 18
 No NCS symmetry matrices (MTRIX records) found in PDB file
 Matthews coefficient for observed atoms and Z is high: Vm= 6832.914
 Be aware though that the number of residues with missing atoms is: 132
 No Matthews coefficient given in REMARK 280
 And remember, a matrix counting problem has been reported earlier already
 
# 14 # Note: Z missing on CRYST1 card
The messages above seem likely caused by the fact that Z is missing from the
CRYST1 card.
 
# 15 # Note: All atoms are sufficiently far away from symmetry axes
None of the atoms in the structure is closer than 0.77 Angstrom to a proper
symmetry axis.
 
# 16 # Note: Chain identifiers OK
WHAT CHECK has not detected any serious chain identifier problems. But be
aware that WHAT CHECK doesn't care about the chain identifiers of waters.
 
# 17 # Warning: Ligands for which a topology was generated automatically
The topology for the ligands in the table below were determined
automatically. WHAT CHECK uses a local copy of the CCP4 monomer library to
generate topology information for ligands. Be aware that automatic topology
generation is a complicated task. So, if you get messages that you fail to
understand or that you believe are wrong, and one of these ligands is
involved, then check the ligand topology entry first. This topology is either
present in the monomer library, or as a libcheck-generated file in the local
directory.
 
  140 ASP  (  11-) A  -
  141 GLY  (  12-) A  -
  151 ASP  (  20-) A  -
  154 HIS  (  23-) A  -
  158 ASP  (  27-) A  -
  165 GLY  (  32-) A  -
  167 HIS  (  34-) A  -
  181 HIS  (  46-) A  -
  184 PHE  (  49-) A  -
  186 ASP  (  51-) A  -
  187 GLY  (  52-) A  -
  192 ASP  (  57-) A  -
  194 HIS  (  59-) A  -
  205 ASP  (  68-) A  -
  210 ASP  (  73-) A  -
And so on for a total of   456 lines.
 
# 18 # Warning: Covalently bound ligands
The ligands in this table are covalently bound to something else. It is
already difficult to automatically generate topologies for ligands,
but when they are covalently bound to something it becomes even more
complicated to do everything right. So, if you get weird error messages
that seem related to this covalent bond, then please feel free to
ignore those, or even better, make a topology entry by hand.
 
The comment `Other ligand` indicates that the covalent bond is to another
ligand. In that case you might want to convert the two ligands into one
bigger ligand.
 
  140 ASP  (  11-) A  -          Other ligand
  141 GLY  (  12-) A  -          Other ligand
  151 ASP  (  20-) A  -
  154 HIS  (  23-) A  -
  158 ASP  (  27-) A  -
  160 ALA  (  29-) A  -          Other ligand
  161 ALA  (  30-) A  -          Other ligand
  165 GLY  (  32-) A  -
  167 HIS  (  34-) A  -
  181 HIS  (  46-) A  -
  184 PHE  (  49-) A  -
  186 ASP  (  51-) A  -          Other ligand
  187 GLY  (  52-) A  -          Other ligand
  192 ASP  (  57-) A  -
  194 HIS  (  59-) A  -
And so on for a total of   633 lines.
 
# 19 # Note: No strange inter-chain connections detected
No covalent bonds have been detected between molecules with non-identical
chain identifiers.
 
# 20 # Note: No duplicate atom names in ligands
All atom names in ligands (if any) seem adequately unique.
 
# 21 # Note: In all cases the primary alternate atom was used
WHAT CHECK saw no need to make any alternate atom corrections (which means
they either are all correct, or there are none).
 
# 22 # Note: No residues detected inside ligands
Either this structure does not contain ligands with amino acid groups inside
it, or their naming is proper (enough).
 
# 23 # Note: No attached groups interfere with hydrogen bond calculations
It seems there are no sugars, lipids, etc., bound (or very close) to atoms
that otherwise could form hydrogen bonds.
 
# 24 # Note: No probable side chain atoms with zero occupancy detected.
Either there are no side chain atoms with zero occupancy, or the side chain
atoms with zero occupancy were not present in the input PDB file (in which
case they are listed as missing atoms), or their positions are sufficiently
improbable to warrant a zero occupancy.
 
# 25 # Note: No probable backbone atoms with zero occupancy detected.
Either there are no backbone atoms with zero occupancy, or the backbone
atoms with zero occupancy were left out of the input PDB file (in
which case they are listed as missing atoms), or their positions are
sufficiently improbable to warrant a zero occupancy.
 
# 26 # Note: All residues have a complete backbone.
No residues have missing backbone atoms.
 
# 27 # Note: No C-alpha only residues
There are no residues that consist of only an alpha carbon atom.
Unknown residue type in MOL309B 7 0
Unknown residue type in MOL309B 8 0
Unknown residue type in MOL309B 9 0
Unknown residue type in MOL309B 10 0
Unknown residue type in MOL309B 11 0
Unknown residue type in MOL309B 12 0
Unknown residue type in MOL309B 13 0
Unknown residue type in MOL309B 16 0
Unknown residue type in MOL309B 17 0
Unknown residue type in MOL309B 21 0
Unknown residue type in MOL309B 22 0
Unknown residue type in MOL309B 23 0
Unknown residue type in MOL309B 24 0
Unknown residue type in MOL309B 26 0
Unknown residue type in MOL309B 27 0
Unknown residue type in MOL309B 29 0
Unknown residue type in MOL309B 30 0
Unknown residue type in MOL309B 31 0
Unknown residue type in MOL309B 33 0
Unknown residue type in MOL309B 40 0
Unknown residue type in MOL309B 42 0
Unknown residue type in MOL309B 43 0
Unknown residue type in MOL309B 44 0
Unknown residue type in MOL309B 45 0
Unknown residue type in MOL309B 46 0
Unknown residue type in MOL309B 47 0
Unknown residue type in MOL309B 48 0
Unknown residue type in MOL309B 52 0
Unknown residue type in MOL309B 53 0
Unknown residue type in MOL309B 54 0
Unknown residue type in MOL309B 56 0
Unknown residue type in MOL309B 57 0
Unknown residue type in MOL309B 59 0
Unknown residue type in MOL309B 62 0
Unknown residue type in MOL309B 63 0
Unknown residue type in MOL309B 64 0
Unknown residue type in MOL309B 65 0
Unknown residue type in MOL309B 67 0
Unknown residue type in MOL309B 72 0
Unknown residue type in MOL309B 73 0
Unknown residue type in MOL309B 74 0
Unknown residue type in MOL309B 75 0
Unknown residue type in MOL309B 80 0
Unknown residue type in MOL309B 81 0
Unknown residue type in MOL309B 82 0
Unknown residue type in MOL309B 83 0
Unknown residue type in MOL309B 86 0
Unknown residue type in MOL309B 88 0
Unknown residue type in MOL309B 89 0
Unknown residue type in MOL309B 90 0
Unknown residue type in MOL309B 91 0
Unknown residue type in MOL309B 94 0
Unknown residue type in MOL309B 95 0
Unknown residue type in MOL309B 97 0
Unknown residue type in MOL309B 100 0
Unknown residue type in MOL309B 101 0
Unknown residue type in MOL309B 102 0
Unknown residue type in MOL309B 103 0
Unknown residue type in MOL309B 105 0
Unknown residue type in MOL309B 107 0
Unknown residue type in MOL309B 112 0
Unknown residue type in MOL309B 113 0
Unknown residue type in MOL309B 115 0
Unknown residue type in MOL309B 116 0
Unknown residue type in MOL309B 119 0
Unknown residue type in MOL309B 120 0
Unknown residue type in MOL309B 121 0
Unknown residue type in MOL309B 122 0
Unknown residue type in MOL309B 123 0
Unknown residue type in MOL309B 127 0
Unknown residue type in MOL309B 129 0
Unknown residue type in MOL309B 130 0
Unknown residue type in MOL309B 132 0
Unknown residue type in MOL309B 134 0
Unknown residue type in MOL309B 135 0
Unknown residue type in MOL309B 140 0
Unknown residue type in MOL309B 141 0
Unknown residue type in MOL309B 152 0
Unknown residue type in MOL309B 153 0
Unknown residue type in MOL309B 154 0
Unknown residue type in MOL309B 156 0
Unknown residue type in MOL309B 158 0
Unknown residue type in MOL309B 162 0
Unknown residue type in MOL309B 164 0
Unknown residue type in MOL309B 165 0
Unknown residue type in MOL309B 167 0
Unknown residue type in MOL309B 168 0
Unknown residue type in MOL309B 171 0
Unknown residue type in MOL309B 172 0
Unknown residue type in MOL309B 173 0
Unknown residue type in MOL309B 174 0
Unknown residue type in MOL309B 179 0
Unknown residue type in MOL309B 180 0
Unknown residue type in MOL309B 181 0
Unknown residue type in MOL309B 182 0
Unknown residue type in MOL309B 183 0
Unknown residue type in MOL309B 184 0
Unknown residue type in MOL309B 185 0
Unknown residue type in MOL309B 186 0
Unknown residue type in MOL309B 187 0
Unknown residue type in MOL309B 192 0
Unknown residue type in MOL309B 193 0
Unknown residue type in MOL309B 197 0
Unknown residue type in MOL309B 199 0
Unknown residue type in MOL309B 201 0
Unknown residue type in MOL309B 202 0
Unknown residue type in MOL309B 203 0
Unknown residue type in MOL309B 204 0
Unknown residue type in MOL309B 205 0
Unknown residue type in MOL309B 209 0
Unknown residue type in MOL309B 211 0
Unknown residue type in MOL309B 212 0
Unknown residue type in MOL309B 213 0
Unknown residue type in MOL309B 214 0
Unknown residue type in MOL309B 215 0
Unknown residue type in MOL309B 219 0
Unknown residue type in MOL309B 220 0
Unknown residue type in MOL309B 221 0
Unknown residue type in MOL309B 222 0
Unknown residue type in MOL309B 223 0
Unknown residue type in MOL309B 224 0
Unknown residue type in MOL309B 225 0
Unknown residue type in MOL309B 226 0
Unknown residue type in MOL309B 228 0
Unknown residue type in MOL309B 231 0
Unknown residue type in MOL309B 232 0
Unknown residue type in MOL309B 233 0
Unknown residue type in MOL309B 235 0
Unknown residue type in MOL309B 236 0
Unknown residue type in MOL309B 237 0
Unknown residue type in MOL309B 238 0
Unknown residue type in MOL309B 239 0
Unknown residue type in MOL309B 240 0
Unknown residue type in MOL309B 241 0
Unknown residue type in MOL309B 242 0
Unknown residue type in MOL309B 243 0
Unknown residue type in MOL309B 244 0
Unknown residue type in MOL309B 246 0
Unknown residue type in MOL309B 247 0
Unknown residue type in MOL309B 248 0
Unknown residue type in MOL309B 249 0
Unknown residue type in MOL309B 250 0
Unknown residue type in MOL309B 251 0
Unknown residue type in MOL309B 252 0
Unknown residue type in MOL309B 254 0
Unknown residue type in MOL309B 255 0
Unknown residue type in MOL309B 257 0
Unknown residue type in MOL309B 258 0
Unknown residue type in MOL309B 259 0
Unknown residue type in MOL309B 266 0
Unknown residue type in MOL309B 267 0
Unknown residue type in MOL309B 269 0
Unknown residue type in MOL309B 270 0
Unknown residue type in MOL309B 271 0
Unknown residue type in MOL309B 273 0
Unknown residue type in MOL309B 274 0
Unknown residue type in MOL309B 275 0
Unknown residue type in MOL309B 277 0
Unknown residue type in MOL309B 278 0
Unknown residue type in MOL309B 279 0
Unknown residue type in MOL309B 280 0
Unknown residue type in MOL309B 281 0
Unknown residue type in MOL309B 282 0
Unknown residue type in MOL309B 283 0
Unknown residue type in MOL309B 284 0
Unknown residue type in MOL309B 287 0
Unknown residue type in MOL309B 289 0
Unknown residue type in MOL309B 290 0
Unknown residue type in MOL309B 293 0
Unknown residue type in MOL309B 294 0
Unknown residue type in MOL309B 295 0
Unknown residue type in MOL309B 297 0
Unknown residue type in MOL309B 299 0
Unknown residue type in MOL309B 300 0
Unknown residue type in MOL309B 303 0
Unknown residue type in MOL309B 306 0
Unknown residue type in MOL309B 307 0
Unknown residue type in MOL309B 309 0
Unknown residue type in MOL309B 310 0
Unknown residue type in MOL309B 313 0
Unknown residue type in MOL309B 314 0
Unknown residue type in MOL309B 316 0
Unknown residue type in MOL309B 317 0
Unknown residue type in MOL309B 318 0
Unknown residue type in MOL309B 320 0
Unknown residue type in MOL309B 321 0
Unknown residue type in MOL309B 324 0
Unknown residue type in MOL309B 325 0
Unknown residue type in MOL309B 330 0
Unknown residue type in MOL309B 331 0
Unknown residue type in MOL309B 333 0
Unknown residue type in MOL309B 334 0
Unknown residue type in MOL309B 335 0
Unknown residue type in MOL309B 336 0
Unknown residue type in MOL309B 338 0
Unknown residue type in MOL309B 342 0
Unknown residue type in MOL309B 346 0
Unknown residue type in MOL309B 347 0
Unknown residue type in MOL309B 348 0
Unknown residue type in MOL309B 349 0
Unknown residue type in MOL309B 350 0
Unknown residue type in MOL309B 351 0
Unknown residue type in MOL309B 352 0
Unknown residue type in MOL309B 353 0
Unknown residue type in MOL309B 354 0
Unknown residue type in MOL309B 356 0
Unknown residue type in MOL309B 361 0
Unknown residue type in MOL309B 362 0
Unknown residue type in MOL309B 363 0
Unknown residue type in MOL309B 364 0
Unknown residue type in MOL309B 366 0
Unknown residue type in MOL309B 368 0
Unknown residue type in MOL309B 370 0
Unknown residue type in MOL309B 371 0
Unknown residue type in MOL309B 372 0
Unknown residue type in MOL309B 373 0
Unknown residue type in MOL309B 374 0
Unknown residue type in MOL309B 375 0
Unknown residue type in MOL309B 376 0
Unknown residue type in MOL309B 377 0
Unknown residue type in MOL309B 378 0
Unknown residue type in MOL309B 379 0
Unknown residue type in MOL309B 380 0
Unknown residue type in MOL309B 381 0
Unknown residue type in MOL309B 382 0
Unknown residue type in MOL309B 388 0
Unknown residue type in MOL309B 389 0
Unknown residue type in MOL309B 390 0
Unknown residue type in MOL309B 392 0
Unknown residue type in MOL309B 393 0
Unknown residue type in MOL309B 394 0
Unknown residue type in MOL309B 396 0
Unknown residue type in MOL309B 397 0
Unknown residue type in MOL309B 399 0
Unknown residue type in MOL309B 400 0
Unknown residue type in MOL309B 407 0
Unknown residue type in MOL309B 418 0
Unknown residue type in MOL309B 419 0
Unknown residue type in MOL309B 420 0
Unknown residue type in MOL309B 421 0
Unknown residue type in MOL309B 422 0
Unknown residue type in MOL309B 423 0
Unknown residue type in MOL309B 427 0
Unknown residue type in MOL309B 430 0
Unknown residue type in MOL309B 431 0
Unknown residue type in MOL309B 432 0
Unknown residue type in MOL309B 433 0
Unknown residue type in MOL309B 434 0
Unknown residue type in MOL309B 435 0
Unknown residue type in MOL309B 436 0
Unknown residue type in MOL309B 437 0
Unknown residue type in MOL309B 439 0
Unknown residue type in MOL309B 443 0
Unknown residue type in MOL309B 445 0
Unknown residue type in MOL309B 446 0
Unknown residue type in MOL309B 447 0
Unknown residue type in MOL309B 448 0
Unknown residue type in MOL309B 449 0
Unknown residue type in MOL309B 453 0
Unknown residue type in MOL309B 455 0
Unknown residue type in MOL309B 456 0
Unknown residue type in MOL309B 458 0
Unknown residue type in MOL309B 459 0
Unknown residue type in MOL309B 460 0
Unknown residue type in MOL309B 461 0
Unknown residue type in MOL309B 462 0
Unknown residue type in MOL309B 463 0
Unknown residue type in MOL309B 464 0
Unknown residue type in MOL309B 468 0
Unknown residue type in MOL309B 469 0
Unknown residue type in MOL309B 471 0
Unknown residue type in MOL309B 472 0
Unknown residue type in MOL309B 475 0
Unknown residue type in MOL309B 477 0
Unknown residue type in MOL309B 479 0
Unknown residue type in MOL309B 480 0
Unknown residue type in MOL309B 481 0
Unknown residue type in MOL309B 482 0
Unknown residue type in MOL309B 483 0
Unknown residue type in MOL309B 484 0
Unknown residue type in MOL309B 485 0
Unknown residue type in MOL309B 487 0
Unknown residue type in MOL309B 491 0
Unknown residue type in MOL309B 493 0
Unknown residue type in MOL309B 494 0
Unknown residue type in MOL309B 495 0
Unknown residue type in MOL309B 496 0
Unknown residue type in MOL309B 497 0
Unknown residue type in MOL309B 498 0
Unknown residue type in MOL309B 499 0
Unknown residue type in MOL309B 501 0
Unknown residue type in MOL309B 502 0
Unknown residue type in MOL309B 507 0
Unknown residue type in MOL309B 512 0
Unknown residue type in MOL309B 514 0
Unknown residue type in MOL309B 516 0
Unknown residue type in MOL309B 517 0
Unknown residue type in MOL309B 518 0
Unknown residue type in MOL309B 521 0
Unknown residue type in MOL309B 522 0
Unknown residue type in MOL309B 525 0
Unknown residue type in MOL309B 526 0
Unknown residue type in MOL309B 527 0
Unknown residue type in MOL309B 528 0
Unknown residue type in MOL309B 533 0
Unknown residue type in MOL309B 540 0
Unknown residue type in MOL309B 542 0
Unknown residue type in MOL309B 543 0
Unknown residue type in MOL309B 545 0
Unknown residue type in MOL309B 546 0
Unknown residue type in MOL309B 548 0
Unknown residue type in MOL309B 551 0
Unknown residue type in MOL309B 552 0
Unknown residue type in MOL309B 554 0
Unknown residue type in MOL309B 555 0
Unknown residue type in MOL309B 557 0
Unknown residue type in MOL309B 558 0
Unknown residue type in MOL309B 559 0
Unknown residue type in MOL309B 560 0
Unknown residue type in MOL309B 563 0
Unknown residue type in MOL309B 564 0
Unknown residue type in MOL309B 567 0
Unknown residue type in MOL309B 569 0
Unknown residue type in MOL309B 570 0
Unknown residue type in MOL309B 571 0
Unknown residue type in MOL309B 572 0
Unknown residue type in MOL309B 574 0
Unknown residue type in MOL309B 576 0
Unknown residue type in MOL309B 577 0
Unknown residue type in MOL309B 578 0
Unknown residue type in MOL309B 581 0
Unknown residue type in MOL309B 582 0
Unknown residue type in MOL309B 583 0
Unknown residue type in MOL309B 585 0
Unknown residue type in MOL309B 588 0
Unknown residue type in MOL309B 589 0
Unknown residue type in MOL309B 590 0
Unknown residue type in MOL309B 591 0
Unknown residue type in MOL309B 594 0
Unknown residue type in MOL309B 596 0
Unknown residue type in MOL309B 597 0
Unknown residue type in MOL309B 598 0
Unknown residue type in MOL309B 599 0
Unknown residue type in MOL309B 601 0
Unknown residue type in MOL309B 602 0
Unknown residue type in MOL309B 608 0
Unknown residue type in MOL309B 609 0
Unknown residue type in MOL309B 610 0
Unknown residue type in MOL309B 611 0
Unknown residue type in MOL309B 612 0
Unknown residue type in MOL309B 613 0
Unknown residue type in MOL309B 614 0
Unknown residue type in MOL309B 616 0
Unknown residue type in MOL309B 617 0
Unknown residue type in MOL309B 621 0
Unknown residue type in MOL309B 623 0
Unknown residue type in MOL309B 627 0
Unknown residue type in MOL309B 631 0
Unknown residue type in MOL309B 632 0
Unknown residue type in MOL309B 634 0
Unknown residue type in MOL309B 638 0
Unknown residue type in MOL309B 639 0
Unknown residue type in MOL309B 640 0
Unknown residue type in MOL309B 642 0
Unknown residue type in MOL309B 644 0
Unknown residue type in MOL309B 645 0
Unknown residue type in MOL309B 646 0
Unknown residue type in MOL309B 647 0
Unknown residue type in MOL309B 649 0
Unknown residue type in MOL309B 650 0
Unknown residue type in MOL309B 651 0
Unknown residue type in MOL309B 652 0
Unknown residue type in MOL309B 654 0
Unknown residue type in MOL309B 656 0
Unknown residue type in MOL309B 657 0
Unknown residue type in MOL309B 659 0
Unknown residue type in MOL309B 663 0
Unknown residue type in MOL309B 664 0
Unknown residue type in MOL309B 666 0
Unknown residue type in MOL309B 668 0
Unknown residue type in MOL309B 673 0
Unknown residue type in MOL309B 674 0
Unknown residue type in MOL309B 678 0
Unknown residue type in MOL309B 679 0
Unknown residue type in MOL309B 680 0
Unknown residue type in MOL309B 681 0
Unknown residue type in MOL309B 684 0
Unknown residue type in MOL309B 685 0
Unknown residue type in MOL309B 686 0
Unknown residue type in MOL309B 687 0
Unknown residue type in MOL309B 688 0
Unknown residue type in MOL309B 689 0
Unknown residue type in MOL309B 690 0
Unknown residue type in MOL309B 692 0
Unknown residue type in MOL309B 693 0
Unknown residue type in MOL309B 694 0
Unknown residue type in MOL309B 695 0
Unknown residue type in MOL309B 699 0
Unknown residue type in MOL309B 700 0
Unknown residue type in MOL309B 701 0
Unknown residue type in MOL309B 702 0
Unknown residue type in MOL309B 703 0
Unknown residue type in MOL309B 704 0
Unknown residue type in MOL309B 705 0
Unknown residue type in MOL309B 707 0
Unknown residue type in MOL309B 708 0
Unknown residue type in MOL309B 710 0
Unknown residue type in MOL309B 714 0
Unknown residue type in MOL309B 715 0
Unknown residue type in MOL309B 716 0
Unknown residue type in MOL309B 718 0
Unknown residue type in MOL309B 719 0
Unknown residue type in MOL309B 720 0
Unknown residue type in MOL309B 721 0
Unknown residue type in MOL309B 722 0
Unknown residue type in MOL309B 724 0
Unknown residue type in MOL309B 725 0
Unknown residue type in MOL309B 728 0
Unknown residue type in MOL309B 729 0
Unknown residue type in MOL309B 730 0
Unknown residue type in MOL309B 731 0
Unknown residue type in MOL309B 732 0
Unknown residue type in MOL309B 733 0
Unknown residue type in MOL309B 734 0
Unknown residue type in MOL309B 736 0
Unknown residue type in MOL309B 741 0
Unknown residue type in MOL309B 745 0
Unknown residue type in MOL309B 749 0
Unknown residue type in MOL309B 750 0
Unknown residue type in MOL309B 751 0
Unknown residue type in MOL309B 755 0
Unknown residue type in MOL309B 756 0
Unknown residue type in MOL309B 758 0
Unknown residue type in MOL309B 761 0
Unknown residue type in MOL309B 762 0
Unknown residue type in MOL309B 763 0
Unknown residue type in MOL309B 764 0
Unknown residue type in MOL309B 765 0
Unknown residue type in MOL309B 767 0
Unknown residue type in MOL309B 768 0
Unknown residue type in MOL309B 769 0
Unknown residue type in MOL309B 770 0
Unknown residue type in MOL309B 772 0
Unknown residue type in MOL309B 774 0
Unknown residue type in MOL309B 775 0
Unknown residue type in MOL309B 776 0
Unknown residue type in MOL309B 777 0
Unknown residue type in MOL309B 779 0
Unknown residue type in MOL309B 780 0
Unknown residue type in MOL309B 781 0
Unknown residue type in MOL309B 782 0
Unknown residue type in MOL309B 784 0
Unknown residue type in MOL309B 785 0
Unknown residue type in MOL309B 786 0
Unknown residue type in MOL309B 788 0
Unknown residue type in MOL309B 789 0
Unknown residue type in MOL309B 791 0
Unknown residue type in MOL309B 792 0
Unknown residue type in MOL309B 793 0
Unknown residue type in MOL309B 794 0
Unknown residue type in MOL309B 795 0
Unknown residue type in MOL309B 796 0
Unknown residue type in MOL309B 797 0
Unknown residue type in MOL309B 798 0
Unknown residue type in MOL309B 799 0
Unknown residue type in MOL309B 801 0
Unknown residue type in MOL309B 802 0
Unknown residue type in MOL309B 803 0
Unknown residue type in MOL309B 805 0
Unknown residue type in MOL309B 806 0
Unknown residue type in MOL309B 809 0
Unknown residue type in MOL309B 810 0
Unknown residue type in MOL309B 811 0
Unknown residue type in MOL309B 812 0
Unknown residue type in MOL309B 813 0
Unknown residue type in MOL309B 815 0
Unknown residue type in MOL309B 816 0
Unknown residue type in MOL309B 817 0
Unknown residue type in MOL309B 818 0
Unknown residue type in MOL309B 821 0
Unknown residue type in MOL309B 822 0
Unknown residue type in MOL309B 823 0
Unknown residue type in MOL309B 824 0
Unknown residue type in MOL309B 825 0
Unknown residue type in MOL309B 826 0
Unknown residue type in MOL309B 827 0
Unknown residue type in MOL309B 830 0
Unknown residue type in MOL309B 831 0
Unknown residue type in MOL309B 835 0
Unknown residue type in MOL309B 836 0
Unknown residue type in MOL309B 837 0
Unknown residue type in MOL309B 838 0
Unknown residue type in MOL309B 840 0
Unknown residue type in MOL309B 841 0
Unknown residue type in MOL309B 843 0
Unknown residue type in MOL309B 844 0
Unknown residue type in MOL309B 845 0
Unknown residue type in MOL309B 847 0
Unknown residue type in MOL309B 854 0
Unknown residue type in MOL309B 856 0
Unknown residue type in MOL309B 857 0
Unknown residue type in MOL309B 858 0
Unknown residue type in MOL309B 859 0
Unknown residue type in MOL309B 860 0
Unknown residue type in MOL309B 861 0
Unknown residue type in MOL309B 862 0
Unknown residue type in MOL309B 866 0
Unknown residue type in MOL309B 867 0
Unknown residue type in MOL309B 868 0
Unknown residue type in MOL309B 870 0
Unknown residue type in MOL309B 871 0
Unknown residue type in MOL309B 873 0
Unknown residue type in MOL309B 876 0
Unknown residue type in MOL309B 877 0
Unknown residue type in MOL309B 878 0
Unknown residue type in MOL309B 879 0
Unknown residue type in MOL309B 881 0
Unknown residue type in MOL309B 886 0
Unknown residue type in MOL309B 887 0
Unknown residue type in MOL309B 888 0
Unknown residue type in MOL309B 889 0
Unknown residue type in MOL309B 894 0
Unknown residue type in MOL309B 895 0
Unknown residue type in MOL309B 896 0
Unknown residue type in MOL309B 897 0
Unknown residue type in MOL309B 900 0
Unknown residue type in MOL309B 902 0
Unknown residue type in MOL309B 903 0
Unknown residue type in MOL309B 904 0
Unknown residue type in MOL309B 905 0
Unknown residue type in MOL309B 908 0
Unknown residue type in MOL309B 909 0
Unknown residue type in MOL309B 911 0
Unknown residue type in MOL309B 914 0
Unknown residue type in MOL309B 915 0
Unknown residue type in MOL309B 916 0
Unknown residue type in MOL309B 917 0
Unknown residue type in MOL309B 919 0
Unknown residue type in MOL309B 921 0
Unknown residue type in MOL309B 926 0
Unknown residue type in MOL309B 927 0
Unknown residue type in MOL309B 929 0
Unknown residue type in MOL309B 930 0
Unknown residue type in MOL309B 933 0
Unknown residue type in MOL309B 934 0
Unknown residue type in MOL309B 935 0
Unknown residue type in MOL309B 936 0
Unknown residue type in MOL309B 937 0
Unknown residue type in MOL309B 941 0
Unknown residue type in MOL309B 943 0
Unknown residue type in MOL309B 944 0
Unknown residue type in MOL309B 946 0
Unknown residue type in MOL309B 948 0
Unknown residue type in MOL309B 949 0
Unknown residue type in MOL309B 954 0
Unknown residue type in MOL309B 955 0
Unknown residue type in MOL309B 966 0
Unknown residue type in MOL309B 967 0
Unknown residue type in MOL309B 968 0
Unknown residue type in MOL309B 970 0
Unknown residue type in MOL309B 972 0
Unknown residue type in MOL309B 976 0
Unknown residue type in MOL309B 978 0
Unknown residue type in MOL309B 979 0
Unknown residue type in MOL309B 981 0
Unknown residue type in MOL309B 982 0
Unknown residue type in MOL309B 985 0
Unknown residue type in MOL309B 986 0
Unknown residue type in MOL309B 987 0
Unknown residue type in MOL309B 988 0
Unknown residue type in MOL309B 993 0
Unknown residue type in MOL309B 994 0
Unknown residue type in MOL309B 995 0
Unknown residue type in MOL309B 996 0
Unknown residue type in MOL309B 997 0
Unknown residue type in MOL309B 998 0
Unknown residue type in MOL309B 999 0
Unknown residue type in MOL309B 1000 0
Unknown residue type in MOL309B 1001 0
Unknown residue type in MOL309B 1006 0
Unknown residue type in MOL309B 1007 0
Unknown residue type in MOL309B 1011 0
Unknown residue type in MOL309B 1013 0
Unknown residue type in MOL309B 1015 0
Unknown residue type in MOL309B 1016 0
Unknown residue type in MOL309B 1017 0
Unknown residue type in MOL309B 1018 0
Unknown residue type in MOL309B 1019 0
Unknown residue type in MOL309B 1023 0
Unknown residue type in MOL309B 1025 0
Unknown residue type in MOL309B 1026 0
Unknown residue type in MOL309B 1027 0
Unknown residue type in MOL309B 1028 0
Unknown residue type in MOL309B 1029 0
Unknown residue type in MOL309B 1033 0
Unknown residue type in MOL309B 1034 0
Unknown residue type in MOL309B 1035 0
Unknown residue type in MOL309B 1036 0
Unknown residue type in MOL309B 1037 0
Unknown residue type in MOL309B 1038 0
Unknown residue type in MOL309B 1039 0
Unknown residue type in MOL309B 1040 0
Unknown residue type in MOL309B 1042 0
Unknown residue type in MOL309B 1045 0
Unknown residue type in MOL309B 1046 0
Unknown residue type in MOL309B 1047 0
Unknown residue type in MOL309B 1049 0
Unknown residue type in MOL309B 1050 0
Unknown residue type in MOL309B 1051 0
Unknown residue type in MOL309B 1052 0
Unknown residue type in MOL309B 1053 0
Unknown residue type in MOL309B 1054 0
Unknown residue type in MOL309B 1055 0
Unknown residue type in MOL309B 1056 0
Unknown residue type in MOL309B 1057 0
Unknown residue type in MOL309B 1058 0
Unknown residue type in MOL309B 1060 0
Unknown residue type in MOL309B 1061 0
Unknown residue type in MOL309B 1062 0
Unknown residue type in MOL309B 1063 0
Unknown residue type in MOL309B 1064 0
Unknown residue type in MOL309B 1065 0
Unknown residue type in MOL309B 1066 0
Unknown residue type in MOL309B 1068 0
Unknown residue type in MOL309B 1069 0
Unknown residue type in MOL309B 1071 0
Unknown residue type in MOL309B 1072 0
Unknown residue type in MOL309B 1073 0
Unknown residue type in MOL309B 1080 0
Unknown residue type in MOL309B 1081 0
Unknown residue type in MOL309B 1083 0
Unknown residue type in MOL309B 1084 0
Unknown residue type in MOL309B 1085 0
Unknown residue type in MOL309B 1087 0
Unknown residue type in MOL309B 1088 0
Unknown residue type in MOL309B 1089 0
Unknown residue type in MOL309B 1091 0
Unknown residue type in MOL309B 1092 0
Unknown residue type in MOL309B 1093 0
Unknown residue type in MOL309B 1094 0
Unknown residue type in MOL309B 1095 0
Unknown residue type in MOL309B 1096 0
Unknown residue type in MOL309B 1097 0
Unknown residue type in MOL309B 1098 0
Unknown residue type in MOL309B 1101 0
Unknown residue type in MOL309B 1103 0
Unknown residue type in MOL309B 1104 0
Unknown residue type in MOL309B 1107 0
Unknown residue type in MOL309B 1108 0
Unknown residue type in MOL309B 1109 0
Unknown residue type in MOL309B 1111 0
Unknown residue type in MOL309B 1113 0
Unknown residue type in MOL309B 1114 0
Unknown residue type in MOL309B 1117 0
Unknown residue type in MOL309B 1120 0
Unknown residue type in MOL309B 1121 0
Unknown residue type in MOL309B 1123 0
Unknown residue type in MOL309B 1124 0
Unknown residue type in MOL309B 1127 0
Unknown residue type in MOL309B 1128 0
Unknown residue type in MOL309B 1130 0
Unknown residue type in MOL309B 1131 0
Unknown residue type in MOL309B 1132 0
Unknown residue type in MOL309B 1134 0
Unknown residue type in MOL309B 1135 0
Unknown residue type in MOL309B 1138 0
Unknown residue type in MOL309B 1139 0
Unknown residue type in MOL309B 1144 0
Unknown residue type in MOL309B 1145 0
Unknown residue type in MOL309B 1147 0
Unknown residue type in MOL309B 1148 0
Unknown residue type in MOL309B 1149 0
Unknown residue type in MOL309B 1150 0
Unknown residue type in MOL309B 1152 0
Unknown residue type in MOL309B 1156 0
Unknown residue type in MOL309B 1160 0
Unknown residue type in MOL309B 1161 0
Unknown residue type in MOL309B 1162 0
Unknown residue type in MOL309B 1163 0
Unknown residue type in MOL309B 1164 0
Unknown residue type in MOL309B 1165 0
Unknown residue type in MOL309B 1166 0
Unknown residue type in MOL309B 1167 0
Unknown residue type in MOL309B 1168 0
Unknown residue type in MOL309B 1170 0
Unknown residue type in MOL309B 1175 0
Unknown residue type in MOL309B 1176 0
Unknown residue type in MOL309B 1177 0
Unknown residue type in MOL309B 1178 0
Unknown residue type in MOL309B 1180 0
Unknown residue type in MOL309B 1182 0
Unknown residue type in MOL309B 1184 0
Unknown residue type in MOL309B 1185 0
Unknown residue type in MOL309B 1186 0
Unknown residue type in MOL309B 1187 0
Unknown residue type in MOL309B 1188 0
Unknown residue type in MOL309B 1189 0
Unknown residue type in MOL309B 1190 0
Unknown residue type in MOL309B 1191 0
Unknown residue type in MOL309B 1192 0
Unknown residue type in MOL309B 1193 0
Unknown residue type in MOL309B 1194 0
Unknown residue type in MOL309B 1195 0
Unknown residue type in MOL309B 1196 0
Unknown residue type in MOL309B 1202 0
Unknown residue type in MOL309B 1203 0
Unknown residue type in MOL309B 1204 0
Unknown residue type in MOL309B 1206 0
Unknown residue type in MOL309B 1207 0
Unknown residue type in MOL309B 1208 0
Unknown residue type in MOL309B 1210 0
Unknown residue type in MOL309B 1211 0
Unknown residue type in MOL309B 1213 0
Unknown residue type in MOL309B 1214 0
Unknown residue type in MOL309B 1221 0
Unknown residue type in MOL309B 1232 0
Unknown residue type in MOL309B 1233 0
Unknown residue type in MOL309B 1234 0
Unknown residue type in MOL309B 1235 0
Unknown residue type in MOL309B 1236 0
Unknown residue type in MOL309B 1237 0
Unknown residue type in MOL309B 1241 0
Unknown residue type in MOL309B 1244 0
Unknown residue type in MOL309B 1245 0
Unknown residue type in MOL309B 1246 0
Unknown residue type in MOL309B 1247 0
Unknown residue type in MOL309B 1248 0
Unknown residue type in MOL309B 1249 0
Unknown residue type in MOL309B 1250 0
Unknown residue type in MOL309B 1251 0
Unknown residue type in MOL309B 1253 0
Unknown residue type in MOL309B 1257 0
Unknown residue type in MOL309B 1259 0
Unknown residue type in MOL309B 1260 0
Unknown residue type in MOL309B 1261 0
Unknown residue type in MOL309B 1262 0
Unknown residue type in MOL309B 1263 0
Unknown residue type in MOL309B 1267 0
Unknown residue type in MOL309B 1269 0
Unknown residue type in MOL309B 1270 0
Unknown residue type in MOL309B 1272 0
Unknown residue type in MOL309B 1273 0
Unknown residue type in MOL309B 1274 0
Unknown residue type in MOL309B 1275 0
Unknown residue type in MOL309B 1276 0
Unknown residue type in MOL309B 1277 0
Unknown residue type in MOL309B 1278 0
Unknown residue type in MOL309B 1282 0
Unknown residue type in MOL309B 1283 0
Unknown residue type in MOL309B 1285 0
Unknown residue type in MOL309B 1286 0
Unknown residue type in MOL309B 1289 0
Unknown residue type in MOL309B 1291 0
Unknown residue type in MOL309B 1293 0
Unknown residue type in MOL309B 1294 0
Unknown residue type in MOL309B 1295 0
Unknown residue type in MOL309B 1296 0
Unknown residue type in MOL309B 1297 0
Unknown residue type in MOL309B 1298 0
Unknown residue type in MOL309B 1299 0
Unknown residue type in MOL309B 1301 0
Unknown residue type in MOL309B 1305 0
Unknown residue type in MOL309B 1307 0
Unknown residue type in MOL309B 1308 0
Unknown residue type in MOL309B 1309 0
Unknown residue type in MOL309B 1310 0
Unknown residue type in MOL309B 1311 0
Unknown residue type in MOL309B 1312 0
Unknown residue type in MOL309B 1313 0
Unknown residue type in MOL309B 1315 0
Unknown residue type in MOL309B 1316 0
Unknown residue type in MOL309B 1321 0
Unknown residue type in MOL309B 1326 0
Unknown residue type in MOL309B 1328 0
Unknown residue type in MOL309B 1330 0
Unknown residue type in MOL309B 1331 0
Unknown residue type in MOL309B 1332 0
Unknown residue type in MOL309B 1335 0
Unknown residue type in MOL309B 1336 0
Unknown residue type in MOL309B 1339 0
Unknown residue type in MOL309B 1340 0
Unknown residue type in MOL309B 1341 0
Unknown residue type in MOL309B 1342 0
Unknown residue type in MOL309B 1347 0
Unknown residue type in MOL309B 1354 0
Unknown residue type in MOL309B 1356 0
Unknown residue type in MOL309B 1357 0
Unknown residue type in MOL309B 1359 0
Unknown residue type in MOL309B 1360 0
Unknown residue type in MOL309B 1362 0
Unknown residue type in MOL309B 1365 0
Unknown residue type in MOL309B 1366 0
Unknown residue type in MOL309B 1368 0
Unknown residue type in MOL309B 1369 0
Unknown residue type in MOL309B 1371 0
Unknown residue type in MOL309B 1372 0
Unknown residue type in MOL309B 1373 0
Unknown residue type in MOL309B 1374 0
Unknown residue type in MOL309B 1377 0
Unknown residue type in MOL309B 1378 0
Unknown residue type in MOL309B 1381 0
Unknown residue type in MOL309B 1383 0
Unknown residue type in MOL309B 1384 0
Unknown residue type in MOL309B 1385 0
Unknown residue type in MOL309B 1386 0
Unknown residue type in MOL309B 1388 0
Unknown residue type in MOL309B 1390 0
Unknown residue type in MOL309B 1391 0
Unknown residue type in MOL309B 1392 0
Unknown residue type in MOL309B 1395 0
Unknown residue type in MOL309B 1396 0
Unknown residue type in MOL309B 1397 0
Unknown residue type in MOL309B 1399 0
Unknown residue type in MOL309B 1402 0
Unknown residue type in MOL309B 1403 0
Unknown residue type in MOL309B 1404 0
Unknown residue type in MOL309B 1405 0
Unknown residue type in MOL309B 1408 0
Unknown residue type in MOL309B 1410 0
Unknown residue type in MOL309B 1411 0
Unknown residue type in MOL309B 1412 0
Unknown residue type in MOL309B 1413 0
Unknown residue type in MOL309B 1415 0
Unknown residue type in MOL309B 1416 0
Unknown residue type in MOL309B 1422 0
Unknown residue type in MOL309B 1423 0
Unknown residue type in MOL309B 1424 0
Unknown residue type in MOL309B 1425 0
Unknown residue type in MOL309B 1426 0
Unknown residue type in MOL309B 1427 0
Unknown residue type in MOL309B 1428 0
Unknown residue type in MOL309B 1430 0
Unknown residue type in MOL309B 1431 0
Unknown residue type in MOL309B 1435 0
Unknown residue type in MOL309B 1437 0
Unknown residue type in MOL309B 1441 0
Unknown residue type in MOL309B 1445 0
Unknown residue type in MOL309B 1446 0
Unknown residue type in MOL309B 1448 0
Unknown residue type in MOL309B 1452 0
Unknown residue type in MOL309B 1453 0
Unknown residue type in MOL309B 1454 0
Unknown residue type in MOL309B 1456 0
Unknown residue type in MOL309B 1458 0
Unknown residue type in MOL309B 1459 0
Unknown residue type in MOL309B 1460 0
Unknown residue type in MOL309B 1461 0
Unknown residue type in MOL309B 1463 0
Unknown residue type in MOL309B 1464 0
Unknown residue type in MOL309B 1465 0
Unknown residue type in MOL309B 1466 0
Unknown residue type in MOL309B 1468 0
Unknown residue type in MOL309B 1470 0
Unknown residue type in MOL309B 1471 0
Unknown residue type in MOL309B 1473 0
Unknown residue type in MOL309B 1477 0
Unknown residue type in MOL309B 1478 0
Unknown residue type in MOL309B 1480 0
Unknown residue type in MOL309B 1482 0
Unknown residue type in MOL309B 1487 0
Unknown residue type in MOL309B 1488 0
Unknown residue type in MOL309B 1492 0
Unknown residue type in MOL309B 1493 0
Unknown residue type in MOL309B 1494 0
Unknown residue type in MOL309B 1495 0
Unknown residue type in MOL309B 1498 0
Unknown residue type in MOL309B 1499 0
Unknown residue type in MOL309B 1500 0
Unknown residue type in MOL309B 1501 0
Unknown residue type in MOL309B 1502 0
Unknown residue type in MOL309B 1503 0
Unknown residue type in MOL309B 1504 0
Unknown residue type in MOL309B 1506 0
Unknown residue type in MOL309B 1507 0
Unknown residue type in MOL309B 1508 0
Unknown residue type in MOL309B 1509 0
Unknown residue type in MOL309B 1513 0
Unknown residue type in MOL309B 1514 0
Unknown residue type in MOL309B 1515 0
Unknown residue type in MOL309B 1516 0
Unknown residue type in MOL309B 1517 0
Unknown residue type in MOL309B 1518 0
Unknown residue type in MOL309B 1519 0
Unknown residue type in MOL309B 1521 0
Unknown residue type in MOL309B 1522 0
Unknown residue type in MOL309B 1524 0
Unknown residue type in MOL309B 1528 0
Unknown residue type in MOL309B 1529 0
Unknown residue type in MOL309B 1530 0
Unknown residue type in MOL309B 1532 0
Unknown residue type in MOL309B 1533 0
Unknown residue type in MOL309B 1534 0
Unknown residue type in MOL309B 1535 0
Unknown residue type in MOL309B 1536 0
Unknown residue type in MOL309B 1538 0
Unknown residue type in MOL309B 1539 0
Unknown residue type in MOL309B 1542 0
Unknown residue type in MOL309B 1543 0
Unknown residue type in MOL309B 1544 0
Unknown residue type in MOL309B 1545 0
Unknown residue type in MOL309B 1546 0
Unknown residue type in MOL309B 1547 0
Unknown residue type in MOL309B 1548 0
Unknown residue type in MOL309B 1550 0
Unknown residue type in MOL309B 1555 0
Unknown residue type in MOL309B 1559 0
Unknown residue type in MOL309B 1563 0
Unknown residue type in MOL309B 1564 0
Unknown residue type in MOL309B 1565 0
Unknown residue type in MOL309B 1569 0
Unknown residue type in MOL309B 1570 0
Unknown residue type in MOL309B 1572 0
Unknown residue type in MOL309B 1575 0
Unknown residue type in MOL309B 1576 0
Unknown residue type in MOL309B 1577 0
Unknown residue type in MOL309B 1578 0
Unknown residue type in MOL309B 1579 0
Unknown residue type in MOL309B 1581 0
Unknown residue type in MOL309B 1582 0
Unknown residue type in MOL309B 1583 0
Unknown residue type in MOL309B 1584 0
Unknown residue type in MOL309B 1586 0
Unknown residue type in MOL309B 1588 0
Unknown residue type in MOL309B 1589 0
Unknown residue type in MOL309B 1590 0
Unknown residue type in MOL309B 1591 0
Unknown residue type in MOL309B 1593 0
Unknown residue type in MOL309B 1594 0
Unknown residue type in MOL309B 1595 0
Unknown residue type in MOL309B 1596 0
Unknown residue type in MOL309B 1598 0
Unknown residue type in MOL309B 1599 0
Unknown residue type in MOL309B 1600 0
Unknown residue type in MOL309B 1602 0
Unknown residue type in MOL309B 1603 0
Unknown residue type in MOL309B 1605 0
Unknown residue type in MOL309B 1606 0
Unknown residue type in MOL309B 1607 0
Unknown residue type in MOL309B 1608 0
Unknown residue type in MOL309B 1609 0
Unknown residue type in MOL309B 1610 0
Unknown residue type in MOL309B 1611 0
Unknown residue type in MOL309B 1612 0
Unknown residue type in MOL309B 1613 0
Unknown residue type in MOL309B 1615 0
Unknown residue type in MOL309B 1616 0
Unknown residue type in MOL309B 1617 0
Unknown residue type in MOL309B 1619 0
Unknown residue type in MOL309B 1620 0
Unknown residue type in MOL309B 1623 0
Unknown residue type in MOL309B 1624 0
Unknown residue type in MOL309B 1625 0
Unknown residue type in MOL309B 1626 0
Unknown residue type in MOL309B 1627 0
Unknown residue type in MOL309B 1629 0
Unknown residue type in MOL309B 1630 0
Unknown residue type in MOL309B 1631 0
Unknown residue type in MOL309B 1632 0
Unknown residue type in MOL309B 1635 0
Unknown residue type in MOL309B 1636 0
Unknown residue type in MOL309B 1637 0
Unknown residue type in MOL309B 1638 0
Unknown residue type in MOL309B 1639 0
Unknown residue type in MOL309B 1640 0
Unknown residue type in MOL309B 1641 0
Unknown residue type in MOL309B 1644 0
Unknown residue type in MOL309B 1645 0
Unknown residue type in MOL309B 1649 0
Unknown residue type in MOL309B 1650 0
Unknown residue type in MOL309B 1651 0
Unknown residue type in MOL309B 1652 0
Unknown residue type in MOL309B 1654 0
Unknown residue type in MOL309B 1655 0
Unknown residue type in MOL309B 1657 0
Unknown residue type in MOL309B 1658 0
Unknown residue type in MOL309B 1659 0
Unknown residue type in MOL309B 1661 0
Unknown residue type in MOL309B 1668 0
Unknown residue type in MOL309B 1670 0
Unknown residue type in MOL309B 1671 0
Unknown residue type in MOL309B 1672 0
Unknown residue type in MOL309B 1673 0
Unknown residue type in MOL309B 1674 0
Unknown residue type in MOL309B 1675 0
Unknown residue type in MOL309B 1676 0
Unknown residue type in MOL309B 1680 0
Unknown residue type in MOL309B 1681 0
Unknown residue type in MOL309B 1682 0
Unknown residue type in MOL309B 1684 0
Unknown residue type in MOL309B 1685 0
Unknown residue type in MOL309B 1687 0
Unknown residue type in MOL309B 1690 0
Unknown residue type in MOL309B 1691 0
Unknown residue type in MOL309B 1692 0
Unknown residue type in MOL309B 1693 0
Unknown residue type in MOL309B 1695 0
Unknown residue type in MOL309B 1700 0
Unknown residue type in MOL309B 1701 0
Unknown residue type in MOL309B 1702 0
Unknown residue type in MOL309B 1703 0
Unknown residue type in MOL309B 1708 0
Unknown residue type in MOL309B 1709 0
Unknown residue type in MOL309B 1710 0
Unknown residue type in MOL309B 1711 0
Unknown residue type in MOL309B 1714 0
Unknown residue type in MOL309B 1716 0
Unknown residue type in MOL309B 1717 0
Unknown residue type in MOL309B 1718 0
Unknown residue type in MOL309B 1719 0
Unknown residue type in MOL309B 1722 0
Unknown residue type in MOL309B 1723 0
Unknown residue type in MOL309B 1725 0
Unknown residue type in MOL309B 1728 0
Unknown residue type in MOL309B 1729 0
Unknown residue type in MOL309B 1730 0
Unknown residue type in MOL309B 1731 0
Unknown residue type in MOL309B 1733 0
Unknown residue type in MOL309B 1735 0
Unknown residue type in MOL309B 1740 0
Unknown residue type in MOL309B 1741 0
Unknown residue type in MOL309B 1743 0
Unknown residue type in MOL309B 1744 0
Unknown residue type in MOL309B 1747 0
Unknown residue type in MOL309B 1748 0
Unknown residue type in MOL309B 1749 0
Unknown residue type in MOL309B 1750 0
Unknown residue type in MOL309B 1751 0
Unknown residue type in MOL309B 1755 0
Unknown residue type in MOL309B 1757 0
Unknown residue type in MOL309B 1758 0
Unknown residue type in MOL309B 1760 0
Unknown residue type in MOL309B 1762 0
Unknown residue type in MOL309B 1763 0
Unknown residue type in MOL309B 1768 0
Unknown residue type in MOL309B 1769 0
Unknown residue type in MOL309B 1780 0
Unknown residue type in MOL309B 1781 0
Unknown residue type in MOL309B 1782 0
Unknown residue type in MOL309B 1784 0
Unknown residue type in MOL309B 1786 0
Unknown residue type in MOL309B 1790 0
Unknown residue type in MOL309B 1792 0
Unknown residue type in MOL309B 1793 0
Unknown residue type in MOL309B 1795 0
Unknown residue type in MOL309B 1796 0
Unknown residue type in MOL309B 1799 0
Unknown residue type in MOL309B 1800 0
Unknown residue type in MOL309B 1801 0
Unknown residue type in MOL309B 1802 0
Unknown residue type in MOL309B 1807 0
Unknown residue type in MOL309B 1808 0
Unknown residue type in MOL309B 1809 0
Unknown residue type in MOL309B 1810 0
Unknown residue type in MOL309B 1811 0
Unknown residue type in MOL309B 1812 0
Unknown residue type in MOL309B 1813 0
Unknown residue type in MOL309B 1814 0
Unknown residue type in MOL309B 1815 0
Unknown residue type in MOL309B 1820 0
Unknown residue type in MOL309B 1821 0
Unknown residue type in MOL309B 1825 0
Unknown residue type in MOL309B 1827 0
Unknown residue type in MOL309B 1829 0
Unknown residue type in MOL309B 1830 0
Unknown residue type in MOL309B 1831 0
Unknown residue type in MOL309B 1832 0
Unknown residue type in MOL309B 1833 0
Unknown residue type in MOL309B 1837 0
Unknown residue type in MOL309B 1839 0
Unknown residue type in MOL309B 1840 0
Unknown residue type in MOL309B 1841 0
Unknown residue type in MOL309B 1842 0
Unknown residue type in MOL309B 1843 0
Unknown residue type in MOL309B 1847 0
Unknown residue type in MOL309B 1848 0
Unknown residue type in MOL309B 1849 0
Unknown residue type in MOL309B 1850 0
Unknown residue type in MOL309B 1851 0
Unknown residue type in MOL309B 1852 0
Unknown residue type in MOL309B 1853 0
Unknown residue type in MOL309B 1854 0
Unknown residue type in MOL309B 1856 0
Unknown residue type in MOL309B 1859 0
Unknown residue type in MOL309B 1860 0
Unknown residue type in MOL309B 1861 0
Unknown residue type in MOL309B 1863 0
Unknown residue type in MOL309B 1864 0
Unknown residue type in MOL309B 1865 0
Unknown residue type in MOL309B 1866 0
Unknown residue type in MOL309B 1867 0
Unknown residue type in MOL309B 1868 0
Unknown residue type in MOL309B 1869 0
Unknown residue type in MOL309B 1870 0
Unknown residue type in MOL309B 1871 0
Unknown residue type in MOL309B 1872 0
Unknown residue type in MOL309B 1874 0
Unknown residue type in MOL309B 1875 0
Unknown residue type in MOL309B 1876 0
Unknown residue type in MOL309B 1877 0
Unknown residue type in MOL309B 1878 0
Unknown residue type in MOL309B 1879 0
Unknown residue type in MOL309B 1880 0
Unknown residue type in MOL309B 1882 0
Unknown residue type in MOL309B 1883 0
Unknown residue type in MOL309B 1885 0
Unknown residue type in MOL309B 1886 0
Unknown residue type in MOL309B 1887 0
Unknown residue type in MOL309B 1894 0
Unknown residue type in MOL309B 1895 0
Unknown residue type in MOL309B 1897 0
Unknown residue type in MOL309B 1898 0
Unknown residue type in MOL309B 1899 0
Unknown residue type in MOL309B 1901 0
Unknown residue type in MOL309B 1902 0
Unknown residue type in MOL309B 1903 0
Unknown residue type in MOL309B 1905 0
Unknown residue type in MOL309B 1906 0
Unknown residue type in MOL309B 1907 0
Unknown residue type in MOL309B 1908 0
Unknown residue type in MOL309B 1909 0
Unknown residue type in MOL309B 1910 0
Unknown residue type in MOL309B 1911 0
Unknown residue type in MOL309B 1912 0
Unknown residue type in MOL309B 1915 0
Unknown residue type in MOL309B 1917 0
Unknown residue type in MOL309B 1918 0
Unknown residue type in MOL309B 1921 0
Unknown residue type in MOL309B 1922 0
Unknown residue type in MOL309B 1923 0
Unknown residue type in MOL309B 1925 0
Unknown residue type in MOL309B 1927 0
Unknown residue type in MOL309B 1928 0
Unknown residue type in MOL309B 1931 0
Unknown residue type in MOL309B 1934 0
Unknown residue type in MOL309B 1935 0
Unknown residue type in MOL309B 1937 0
Unknown residue type in MOL309B 1938 0
Unknown residue type in MOL309B 1941 0
Unknown residue type in MOL309B 1942 0
Unknown residue type in MOL309B 1944 0
Unknown residue type in MOL309B 1945 0
Unknown residue type in MOL309B 1946 0
Unknown residue type in MOL309B 1948 0
Unknown residue type in MOL309B 1949 0
Unknown residue type in MOL309B 1952 0
Unknown residue type in MOL309B 1953 0
Unknown residue type in MOL309B 1958 0
Unknown residue type in MOL309B 1959 0
Unknown residue type in MOL309B 1961 0
Unknown residue type in MOL309B 1962 0
Unknown residue type in MOL309B 1963 0
Unknown residue type in MOL309B 1964 0
Unknown residue type in MOL309B 1966 0
Unknown residue type in MOL309B 1970 0
Unknown residue type in MOL309B 1974 0
Unknown residue type in MOL309B 1975 0
Unknown residue type in MOL309B 1976 0
Unknown residue type in MOL309B 1977 0
Unknown residue type in MOL309B 1978 0
Unknown residue type in MOL309B 1979 0
Unknown residue type in MOL309B 1980 0
Unknown residue type in MOL309B 1981 0
Unknown residue type in MOL309B 1982 0
Unknown residue type in MOL309B 1984 0
Unknown residue type in MOL309B 1989 0
Unknown residue type in MOL309B 1990 0
Unknown residue type in MOL309B 1991 0
Unknown residue type in MOL309B 1992 0
Unknown residue type in MOL309B 1994 0
Unknown residue type in MOL309B 1996 0
Unknown residue type in MOL309B 1998 0
Unknown residue type in MOL309B 1999 0
Unknown residue type in MOL309B 2000 0
Unknown residue type in MOL309B 2001 0
Unknown residue type in MOL309B 2002 0
Unknown residue type in MOL309B 2003 0
Unknown residue type in MOL309B 2004 0
Unknown residue type in MOL309B 2005 0
Unknown residue type in MOL309B 2006 0
Unknown residue type in MOL309B 2007 0
Unknown residue type in MOL309B 2008 0
Unknown residue type in MOL309B 2009 0
Unknown residue type in MOL309B 2010 0
Unknown residue type in MOL309B 2016 0
Unknown residue type in MOL309B 2017 0
Unknown residue type in MOL309B 2018 0
Unknown residue type in MOL309B 2020 0
Unknown residue type in MOL309B 2021 0
Unknown residue type in MOL309B 2022 0
Unknown residue type in MOL309B 2024 0
Unknown residue type in MOL309B 2025 0
Unknown residue type in MOL309B 2027 0
Unknown residue type in MOL309B 2028 0
Unknown residue type in MOL309B 2035 0
Unknown residue type in MOL309B 2046 0
Unknown residue type in MOL309B 2047 0
Unknown residue type in MOL309B 2048 0
Unknown residue type in MOL309B 2049 0
Unknown residue type in MOL309B 2050 0
Unknown residue type in MOL309B 2051 0
Unknown residue type in MOL309B 2055 0
Unknown residue type in MOL309B 2058 0
Unknown residue type in MOL309B 2059 0
Unknown residue type in MOL309B 2060 0
Unknown residue type in MOL309B 2061 0
Unknown residue type in MOL309B 2062 0
Unknown residue type in MOL309B 2063 0
Unknown residue type in MOL309B 2064 0
Unknown residue type in MOL309B 2065 0
Unknown residue type in MOL309B 2067 0
Unknown residue type in MOL309B 2071 0
Unknown residue type in MOL309B 2073 0
Unknown residue type in MOL309B 2074 0
Unknown residue type in MOL309B 2075 0
Unknown residue type in MOL309B 2076 0
Unknown residue type in MOL309B 2077 0
Unknown residue type in MOL309B 2081 0
Unknown residue type in MOL309B 2083 0
Unknown residue type in MOL309B 2084 0
Unknown residue type in MOL309B 2086 0
Unknown residue type in MOL309B 2087 0
Unknown residue type in MOL309B 2088 0
Unknown residue type in MOL309B 2089 0
Unknown residue type in MOL309B 2090 0
Unknown residue type in MOL309B 2091 0
Unknown residue type in MOL309B 2092 0
Unknown residue type in MOL309B 2096 0
Unknown residue type in MOL309B 2097 0
Unknown residue type in MOL309B 2099 0
Unknown residue type in MOL309B 2100 0
Unknown residue type in MOL309B 2103 0
Unknown residue type in MOL309B 2105 0
Unknown residue type in MOL309B 2107 0
Unknown residue type in MOL309B 2108 0
Unknown residue type in MOL309B 2109 0
Unknown residue type in MOL309B 2110 0
Unknown residue type in MOL309B 2111 0
Unknown residue type in MOL309B 2112 0
Unknown residue type in MOL309B 2113 0
Unknown residue type in MOL309B 2115 0
Unknown residue type in MOL309B 2119 0
Unknown residue type in MOL309B 2121 0
Unknown residue type in MOL309B 2122 0
Unknown residue type in MOL309B 2123 0
Unknown residue type in MOL309B 2124 0
Unknown residue type in MOL309B 2125 0
Unknown residue type in MOL309B 2126 0
Unknown residue type in MOL309B 2127 0
Unknown residue type in MOL309B 2129 0
Unknown residue type in MOL309B 2130 0
Unknown residue type in MOL309B 2135 0
Unknown residue type in MOL309B 2140 0
Unknown residue type in MOL309B 2142 0
Unknown residue type in MOL309B 2144 0
Unknown residue type in MOL309B 2145 0
Unknown residue type in MOL309B 2146 0
Unknown residue type in MOL309B 2149 0
Unknown residue type in MOL309B 2150 0
Unknown residue type in MOL309B 2153 0
Unknown residue type in MOL309B 2154 0
Unknown residue type in MOL309B 2155 0
Unknown residue type in MOL309B 2156 0
Unknown residue type in MOL309B 2161 0
Unknown residue type in MOL309B 2168 0
Unknown residue type in MOL309B 2170 0
Unknown residue type in MOL309B 2171 0
Unknown residue type in MOL309B 2173 0
Unknown residue type in MOL309B 2174 0
Unknown residue type in MOL309B 2176 0
Unknown residue type in MOL309B 2179 0
Unknown residue type in MOL309B 2180 0
Unknown residue type in MOL309B 2182 0
Unknown residue type in MOL309B 2183 0
Unknown residue type in MOL309B 2185 0
Unknown residue type in MOL309B 2186 0
Unknown residue type in MOL309B 2187 0
Unknown residue type in MOL309B 2188 0
Unknown residue type in MOL309B 2191 0
Unknown residue type in MOL309B 2192 0
Unknown residue type in MOL309B 2195 0
Unknown residue type in MOL309B 2197 0
Unknown residue type in MOL309B 2198 0
Unknown residue type in MOL309B 2199 0
Unknown residue type in MOL309B 2200 0
Unknown residue type in MOL309B 2202 0
Unknown residue type in MOL309B 2204 0
Unknown residue type in MOL309B 2205 0
Unknown residue type in MOL309B 2206 0
Unknown residue type in MOL309B 2209 0
Unknown residue type in MOL309B 2210 0
Unknown residue type in MOL309B 2211 0
Unknown residue type in MOL309B 2213 0
Unknown residue type in MOL309B 2216 0
Unknown residue type in MOL309B 2217 0
Unknown residue type in MOL309B 2218 0
Unknown residue type in MOL309B 2219 0
Unknown residue type in MOL309B 2222 0
Unknown residue type in MOL309B 2224 0
Unknown residue type in MOL309B 2225 0
Unknown residue type in MOL309B 2226 0
Unknown residue type in MOL309B 2227 0
Unknown residue type in MOL309B 2229 0
Unknown residue type in MOL309B 2230 0
Unknown residue type in MOL309B 2236 0
Unknown residue type in MOL309B 2237 0
Unknown residue type in MOL309B 2238 0
Unknown residue type in MOL309B 2239 0
Unknown residue type in MOL309B 2240 0
Unknown residue type in MOL309B 2241 0
Unknown residue type in MOL309B 2242 0
Unknown residue type in MOL309B 2244 0
Unknown residue type in MOL309B 2245 0
Unknown residue type in MOL309B 2249 0
Unknown residue type in MOL309B 2251 0
Unknown residue type in MOL309B 2255 0
Unknown residue type in MOL309B 2259 0
Unknown residue type in MOL309B 2260 0
Unknown residue type in MOL309B 2262 0
Unknown residue type in MOL309B 2266 0
Unknown residue type in MOL309B 2267 0
Unknown residue type in MOL309B 2268 0
Unknown residue type in MOL309B 2270 0
Unknown residue type in MOL309B 2272 0
Unknown residue type in MOL309B 2273 0
Unknown residue type in MOL309B 2274 0
Unknown residue type in MOL309B 2275 0
Unknown residue type in MOL309B 2277 0
Unknown residue type in MOL309B 2278 0
Unknown residue type in MOL309B 2279 0
Unknown residue type in MOL309B 2280 0
Unknown residue type in MOL309B 2282 0
Unknown residue type in MOL309B 2284 0
Unknown residue type in MOL309B 2285 0
Unknown residue type in MOL309B 2287 0
Unknown residue type in MOL309B 2291 0
Unknown residue type in MOL309B 2292 0
Unknown residue type in MOL309B 2294 0
Unknown residue type in MOL309B 2296 0
Unknown residue type in MOL309B 2301 0
Unknown residue type in MOL309B 2302 0
Unknown residue type in MOL309B 2306 0
Unknown residue type in MOL309B 2307 0
Unknown residue type in MOL309B 2308 0
Unknown residue type in MOL309B 2309 0
Unknown residue type in MOL309B 2312 0
Unknown residue type in MOL309B 2313 0
Unknown residue type in MOL309B 2314 0
Unknown residue type in MOL309B 2315 0
Unknown residue type in MOL309B 2316 0
Unknown residue type in MOL309B 2317 0
Unknown residue type in MOL309B 2318 0
Unknown residue type in MOL309B 2320 0
Unknown residue type in MOL309B 2321 0
Unknown residue type in MOL309B 2322 0
Unknown residue type in MOL309B 2323 0
Unknown residue type in MOL309B 2327 0
Unknown residue type in MOL309B 2328 0
Unknown residue type in MOL309B 2329 0
Unknown residue type in MOL309B 2330 0
Unknown residue type in MOL309B 2331 0
Unknown residue type in MOL309B 2332 0
Unknown residue type in MOL309B 2333 0
Unknown residue type in MOL309B 2335 0
Unknown residue type in MOL309B 2336 0
Unknown residue type in MOL309B 2338 0
Unknown residue type in MOL309B 2342 0
Unknown residue type in MOL309B 2343 0
Unknown residue type in MOL309B 2344 0
Unknown residue type in MOL309B 2346 0
Unknown residue type in MOL309B 2347 0
Unknown residue type in MOL309B 2348 0
Unknown residue type in MOL309B 2349 0
Unknown residue type in MOL309B 2350 0
Unknown residue type in MOL309B 2352 0
Unknown residue type in MOL309B 2353 0
Unknown residue type in MOL309B 2356 0
Unknown residue type in MOL309B 2357 0
Unknown residue type in MOL309B 2358 0
Unknown residue type in MOL309B 2359 0
Unknown residue type in MOL309B 2360 0
Unknown residue type in MOL309B 2361 0
Unknown residue type in MOL309B 2362 0
Unknown residue type in MOL309B 2364 0
Unknown residue type in MOL309B 2369 0
Unknown residue type in MOL309B 2373 0
Unknown residue type in MOL309B 2377 0
Unknown residue type in MOL309B 2378 0
Unknown residue type in MOL309B 2379 0
Unknown residue type in MOL309B 2383 0
Unknown residue type in MOL309B 2384 0
Unknown residue type in MOL309B 2386 0
Unknown residue type in MOL309B 2389 0
Unknown residue type in MOL309B 2390 0
Unknown residue type in MOL309B 2391 0
Unknown residue type in MOL309B 2392 0
Unknown residue type in MOL309B 2393 0
Unknown residue type in MOL309B 2395 0
Unknown residue type in MOL309B 2396 0
Unknown residue type in MOL309B 2397 0
Unknown residue type in MOL309B 2398 0
Unknown residue type in MOL309B 2400 0
Unknown residue type in MOL309B 2402 0
Unknown residue type in MOL309B 2403 0
Unknown residue type in MOL309B 2404 0
Unknown residue type in MOL309B 2405 0
Unknown residue type in MOL309B 2407 0
Unknown residue type in MOL309B 2408 0
Unknown residue type in MOL309B 2409 0
Unknown residue type in MOL309B 2410 0
Unknown residue type in MOL309B 2412 0
Unknown residue type in MOL309B 2413 0
Unknown residue type in MOL309B 2414 0
Unknown residue type in MOL309B 2416 0
Unknown residue type in MOL309B 2417 0
Unknown residue type in MOL309B 2419 0
Unknown residue type in MOL309B 2420 0
Unknown residue type in MOL309B 2421 0
Unknown residue type in MOL309B 2422 0
Unknown residue type in MOL309B 2423 0
Unknown residue type in MOL309B 2424 0
Unknown residue type in MOL309B 2425 0
Unknown residue type in MOL309B 2426 0
Unknown residue type in MOL309B 2427 0
Unknown residue type in MOL309B 2429 0
Unknown residue type in MOL309B 2430 0
Unknown residue type in MOL309B 2431 0
Unknown residue type in MOL309B 2433 0
Unknown residue type in MOL309B 2434 0
Unknown residue type in MOL309B 2437 0
Unknown residue type in MOL309B 2438 0
Unknown residue type in MOL309B 2439 0
Unknown residue type in MOL309B 2440 0
Unknown residue type in MOL309B 2441 0
Unknown residue type in MOL309B 2443 0
Unknown residue type in MOL309B 2444 0
Unknown residue type in MOL309B 2445 0
Unknown residue type in MOL309B 2446 0
Unknown residue type in MOL309B 2449 0
Unknown residue type in MOL309B 2450 0
Unknown residue type in MOL309B 2452 0
Unknown residue type in MOL309B 2456 0
Unknown residue type in MOL309B 2458 0
Unknown residue type in MOL309B 2461 0
Unknown residue type in MOL309B 2462 0
Unknown residue type in MOL309B 2463 0
Unknown residue type in MOL309B 2465 0
Unknown residue type in MOL309B 2466 0
Unknown residue type in MOL309B 2467 0
Unknown residue type in MOL309B 2468 0
Unknown residue type in MOL309B 2470 0
Unknown residue type in MOL309B 2474 0
Unknown residue type in MOL309B 2476 0
Unknown residue type in MOL309B 2479 0
Unknown residue type in MOL309B 2480 0
Unknown residue type in MOL309B 2481 0
Unknown residue type in MOL309B 2483 0
Unknown residue type in MOL309B 2484 0
Unknown residue type in MOL309B 2485 0
Unknown residue type in MOL309B 2486 0
Unknown residue type in MOL309B 2488 0
Unknown residue type in MOL309B 2492 0
Unknown residue type in MOL309B 2494 0
Unknown residue type in MOL309B 2497 0
Unknown residue type in MOL309B 2498 0
Unknown residue type in MOL309B 2499 0
Unknown residue type in MOL309B 2501 0
Unknown residue type in MOL309B 2502 0
Unknown residue type in MOL309B 2503 0
Unknown residue type in MOL309B 2504 0
Unknown residue type in MOL309B 2505 0
 
# 28 # Note: Content of the PDB file as interpreted by WHAT CHECK
Content of the PDB file as interpreted by WHAT CHECK.
WHAT CHECK has read your PDB file, and stored it internally in what is called
'the soup'. The content of this soup is listed here. An extensive explanation
of all frequently used WHAT CHECK output formats can be found at
swift.cmbi.ru.nl. Look under output formats. A course on reading this
'Molecules' table is part of the WHAT CHECK website.
 
     1     1 (   15)    43 (  671) A Prote<<             /zata/tempdir/2xa...
     2    44 (   15)    86 (  671) B Prote<<             /zata/tempdir/2xa...
     3    87 (   15)   129 (  671) C Prote<<             /zata/tempdir/2xa...
     4   130 (  364)   130 (  364) D Prote<<             /zata/tempdir/2xa...
     5   131 (  364)   131 (  364) E Prote<<             /zata/tempdir/2xa...
     6   132 (  364)   132 (  364) F Prote<<             /zata/tempdir/2xa...
     7   133 (     )   133 (     )        <-             /zata/tempdir/2xa...
     8   134 (     )   134 (     )        <=             /zata/tempdir/2xa...
     9   135 (     )   135 (     )        <=             /zata/tempdir/2xa...
    10   136 (     )   136 (     )        <=             /zata/tempdir/2xa...
    11   137 (     )   137 (     )        <=             /zata/tempdir/2xa...
    12   138 (     )   138 (     )        <=             /zata/tempdir/2xa...
    13   139 (     )   139 (     )        <=             /zata/tempdir/2xa...
    14   140 (   11)   140 (   11) A ASP  <=             /zata/tempdir/2xa...
    15   141 (   12)   141 (   12) A GLY  <=             /zata/tempdir/2xa...
And so on for a total of  2511 lines.
MODELs skipped upon reading PDB file: 0
X-ray structure. No MODELs found
The total number of amino acids found is 132
of which 132 have poor or (essentially) missing atoms
No nucleic acids observed in input file
No sugars recognized in input file
Number of water molecules: 1357 (way too many...)
Residue numbers increase monotonously OK
 
# 29 # Note: Chain identifiers seem OK
All ions seem to have a logical chain identifier, or there are no ions
present in the input file.
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
ERROR. File not found:
TAPEOUT.DAT
 
# 30 # Note: Secondary structure
This is the secondary structure according to DSSP. Only helix (H), overwound
or 3/10-helix (3), strand (S), turn (T) and coil (blank) are shown [REF].
All DSSP related information can be found at swift.cmbi.ru.nl/gv/dssp/
This is not really a structure validation option, but a very scattered
secondary structure (i.e. many strands of only a few residues length, many
Ts inside helices, etc) tends to indicate a poor structure. A full
explanation of the DSSP secondary structure determination program together
with a series of examples can be found at the WHAT CHECK website [REF].
 
Secondary structure assignment
                     10        20        30        40
                      |         |         |         |
    1 -   43 ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
(  15)-( 671)
                  50        60        70        80
                   |         |         |         |
   44 -   86 ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
(  15)-( 671)
               90       100       110       120
                |         |         |         |
   87 -  129 ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
(  15)-( 671)
           130
             |
  130 -  130 Z
( 364)-( 364)
 
 
  131 -  131 Z
( 364)-( 364)
 
 
  132 -  132 Z
( 364)-( 364)
 
 
 
 
# 31 # Note: No rounded coordinates detected
No significant rounding of atom coordinates has been detected.
 
# 32 # Note: No artificial side chains detected
No artificial side-chain positions characterized by chi-1=0.0 or chi-1=180.0
have been detected.
 
# 33 # Warning: Unexpected atoms encountered
While reading the PDB file, at least one atom was encountered that
was not expected in the residue. This might be caused by a naming
convention problem. It can also mean that a residue was found protonated
that normally is not (e.g. aspartic acid). The unexpected atoms have been
discarded; in case protons were deleted that actually might be needed, they
will later be put back by the hydrogen bond validation software.
This normally is not a warning you should worry too much about.
 
# 34 # Warning: Missing atoms
The atoms listed in the table below are missing from the entry. If many atoms
are missing, the other checks can become less sensitive. Be aware that it
often happens that groups at the termini of DNA or RNA are really missing,
so that the absence of these atoms normally is neither an error nor the
result of poor electron density. Some of the atoms listed here might also be
listed by other checks, most noticeably by the options in the previous
section that list missing atoms in several categories. The plausible atoms
with zero occupancy are not listed here, as they already got assigned a
non-zero occupancy, and thus are no longer 'missing'.
 
    1 GLU  (  15-) A  -    CD1
    1 GLU  (  15-) A  -    CD2
    1 GLU  (  15-) A  -    CE1
    1 GLU  (  15-) A  -    CE2
    1 GLU  (  15-) A  -    CZ
    1 GLU  (  15-) A  -    OH
    1 GLU  (  15-) A  -    NN
    1 GLU  (  15-) A  -    O1
    1 GLU  (  15-) A  -    O2
    2 GLU  (  31-) A  -    CD1
    2 GLU  (  31-) A  -    CD2
    2 GLU  (  31-) A  -    CE1
    2 GLU  (  31-) A  -    CE2
    2 GLU  (  31-) A  -    CZ
    2 GLU  (  31-) A  -    OH
And so on for a total of  1188 lines.
 
# 35 # Note: All B-factors fall in the range 0.0 - 100.0
All B-factors are larger than zero, and none are observed above 100.0.
 
# 36 # Note: C-terminus capping
The residues listed in the table below are either C-terminal or pseudo
C-terminal (i.e. last residue before a missing residue).
In X-ray the coordinates must be located in density. Mobility or disorder
sometimes cause this density to be so poor that the positions of the atoms
cannot be determined. Crystallographers tend to leave out the atoms in such
cases. In many cases the N- or C-terminal residues are too disordered to see.
In case of the N-terminus, you can often see from the residue numbers if
there are missing residues; at the C-terminus this is impossible. Therefore,
often the position of the backbone nitrogen of the first residue missing
at the C-terminal end is calculated and added to indicate that there
are missing residues. As a single N causes validation trouble, we remove
these single-N-residues before doing the validation. If this happened,
the label -N is added to the pseudo C-terminus. Other labels can be +X
in case something weird is bound to the backbone C, or +OXT if a spurious
OXT atom is found. -OXT indicates that an expected OXT is missing. 'Swap'
means that the O' and O'' (O and OXT in PDB files) have been swapped in
terms of nomenclature. 'Bad' means that something bad happened that WHAT IF
does not understand. In such cases you might get three residue numbers in
square brackets; one of those might be what WHAT IF had expected to find,
but then it also might not). In case of chain breaks the number of missing
residues is listen in round brackets. OK means what it suggests...
 
Be aware that we cannot easily see the difference between these errors and
errors in the chain and residue numbering schemes. So do not blindly trust
the table below. If you get weird errors at, or near, the left-over
incomplete C-terminal residue, please check by hand if a missing Oxt or
a removed single N is the cause. Also, many peptidic ligands get the same
chain identifier as the larger protein they are bound to. In such cases there
are more than one C-termini and OXTs with the same ID. WHAT IF gives some
random warnings about these cases. So, don't take everything at face value,
but think for yourself.
 
    1 GLU  (  15-) A  -        +X (15)
    2 GLU  (  31-) A  -        +X (10)
    3 GLU  (  42-) A  -        +X (17)
    4 GLU  (  60-) A  -        +X (37)
    5 GLU  (  98-) A  -        +X (12)
    6 GLU  ( 111-) A  -        +X (9)
    7 GLU  ( 121-) A  -        +X (3)
   10 GLU  ( 127-) A  -        +X (24)
   11 GLU  ( 152-) A  -        +X (11)
   12 GLU  ( 164-) A  -        +X (2)
   13 GLU  ( 167-) A  -        +X (19)
   14 GLU  ( 187-) A  -        +X (41)
   15 GLU  ( 229-) A  -        +X (82)
   16 GLU  ( 312-) A  -        +X (1)
   17 GLU  ( 314-) A  -        +X (11)
And so on for a total of   120 lines.
 
# 37 # Note: Weights administratively correct
All atomic occupancy factors ('weights') fall in the 0.0--1.0 range, which
makes them administratively correct.
 
# 38 # Note: Normal distribution of occupancy values
 
The distribution of the occupancy values in this file seems 'normal'.
 
Be aware that this evaluation is merely the result of comparing this file
with about 500 well-refined high-resolution files in the PDB. If this file
has much higher or much lower resolution than the PDB files used
in WHAT CHECK's training set, non-normal values might very well be perfectly
fine, or normal values might actually be not so normal. So, this check is
actually more an indicator and certainly not a check in which I have great
confidence.
 
# 39 # Note: All occupancies seem to add up to 0.0 - 1.0.
In principle, the occupancy of all alternates of one atom should add up till
0.0 - 1.0. 0.0 is used for the missing atom (i.e. an atom not seen in the
electron density). Obviously, there is nothing terribly wrong when a few
occupancies add up to a bit more than 1.0, because the mathematics of
refinement allow for that. However, if it happens often, it seems worth
evaluating this in light of the refinement protocol used.
 
# 40 # Warning: What type of B-factor?
WHAT CHECK does not yet know well how to cope with B-factors in case TLS has
been used. It simply assumes that the B-factor listed on the ATOM and HETATM
cards are the total B-factors. When TLS refinement is used that assumption
sometimes is not correct. The header of the PDB file states that TLS groups
were used. So, if WHAT CHECK complains about your  B-factors, while you think
that they are OK, then check for TLS related B-factor problems first.
 
Number of TLS groups mentione in PDB file header: 0
 
Temperature not mentioned in PDB file. This most likely means
that the temperature record is absent.
Room temperature assumed
 
# 41 # Note: Insufficient residues for statistics
Not enough (intact) amino acids were observed to reliably evaluate the
percentage of buried residues with a low B-factor as a function of the
temperature during X-ray data collection.
 
Number of (intact) amino acids observed :    0
 
# 42 # Note: Number of buried atoms with low B-factor is OK
For protein structures determined at room temperature, no more than about 1
percent of the B factors of buried atoms is below 5.0. In liquid
nitrogen this percentage is allowed to be higher, of course.
 
Percentage of buried atoms with B less than 5 :   0.00
 
# 43 # Note: B-factor distribution normal
The distribution of B-factors within residues is within expected ranges.
A value over 1.5 here would mean that the B-factors show signs of
over-refinement.
 
RMS Z-score :  0.477 over     660 bonds
Average difference in B over a bond :    0.53
RMS difference in B over a bond :    0.83
 
# 44 # Note: B-factor plot
The average atomic B-factor per residue is plotted as function of the residue
number.
 
In the TeX file, a plot has been inserted here
 
Chain identifier: A
 
# 45 # Note: B-factor plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: B
 
# 46 # Note: B-factor plot
 
 
In the TeX file, a plot has been inserted here
 
Chain identifier: C
 
# 47 # Note: Introduction to the nomenclature section.
Nomenclature problems seem, at first, rather unimportant. After all who
cares if we call the delta atoms in leucine delta2 and delta1 rather than
the other way around. Chemically speaking that is correct. But structures
have not been solved and deposited just for chemists to look at them. Most
times a structure is used, it is by software in a bioinformatics lab. And
if they compare structures in which the one used C delta1 and delta2 and the
other uses C delta2 and delta1, then that comparison will fail. Also, we
recalculate all structures every so many years to make sure that everybody
always can get access to the best coordinates that can be obtained from
the (your?) experimental data. These recalculations will be troublesome if
there are nomenclature problems.
 
Several nomenclature problems actually are worse than that. At the
WHAT CHECK website [REF] you can get an overview of the importance of all
nomenclature problems that we list.
 
# 48 # Note: Valine nomenclature OK
No errors were detected in valine nomenclature.
 
# 49 # Note: Threonine nomenclature OK
No errors were detected in threonine nomenclature.
 
# 50 # Note: Isoleucine nomenclature OK
No errors were detected in isoleucine nomenclature.
 
# 51 # Note: Leucine nomenclature OK
No errors were detected in leucine nomenclature.
 
# 52 # Note: Arginine nomenclature OK
No errors were detected in arginine nomenclature.
 
# 53 # Note: Tyrosine torsion conventions OK
No errors were detected in tyrosine torsion angle conventions.
 
# 54 # Note: Phenylalanine torsion conventions OK
No errors were detected in phenylalanine torsion angle conventions.
 
# 55 # Note: Aspartic acid torsion conventions OK
No errors were detected in aspartic acid torsion angle conventions.
 
# 56 # Note: Glutamic acid torsion conventions OK
No errors were detected in glutamic acid torsion angle conventions.
 
# 57 # Note: Phosphate group names OK in DNA/RNA
No errors were detected in nucleic acid phosphate group naming conventions
(or this structure contains no nucleic acids).
 
# 58 # Note: Heavy atom naming OK
No errors were detected in the atom names for non-hydrogen atoms. Please
be aware that the PDB wants us to deliberately make some nomenclature errors;
especially in non-canonical amino acids.
 
# 59 # Note: No decreasing residue numbers
All residue numbers are strictly increasing within each chain.
 
# 60 # Note: All bond lengths OK
All bond lengths are in agreement with standard bond lengths using a
tolerance of 4 sigma (both standard values and sigma for amino acids
have been taken from Engh and Huber [REF], for DNA/RNA from Parkinson
et al [REF]).
 
# 61 # Warning: Low bond length variability
Bond lengths were found to deviate less than normal from the mean Engh and
Huber [REF] and/or Parkinson et al [REF] standard bond lengths. The RMS
Z-score given below is expected to be near 1.0 for a normally restrained
data set. The fact that it is lower than 0.667 in this structure might
indicate that too-strong restraints have been used in the refinement. This
can only be a problem  for high resolution X-ray structures.
 
 RMS Z-score for bond lengths: 0.193
 RMS-deviation in bond distances: 0.019
 
# 62 # Note: No bond length directionality
Comparison of bond distances with Engh and Huber [REF] standard values for
protein residues and Parkinson et al [REF] values for DNA/RNA does not show
significant systematic deviations.
 
# 63 # Note: All bond angles OK
All bond angles are in agreement with standard bond angles using a tolerance
of 4 sigma (both standard values and sigma for protein residues have been
taken from Engh and Huber [REF], for DNA/RNA from Parkinson et al. [REF]).
Please note that disulphide bridges are neglected.
 
# 64 # Warning: Low bond angle variability
Bond angles were found to deviate less than normal from the standard bond
angles (normal values for protein residues were taken from Engh and Huber
[REF], for DNA/RNA from Parkinson et al [REF]). The RMS Z-score given below
is expected to be near 1.0 for a normally restrained data set. The fact that
it is lower than 0.667 in this structure might indicate that too-strong
restraints have been used in the refinement. This can only be a problem for
high resolution X-ray structures.
 
 RMS Z-score for bond angles: 0.439
 RMS-deviation in bond angles: 0.779
 
# 65 # Note: Residue hand check OK
No atoms are observed that have the wrong handedness. Be aware, though, that
WHAT CHECK might have corrected the handedness of some atoms already. The
handedness has not been corrected for any case where the problem is worse
than just an administrative discomfort.
 
# 66 # Note: Chirality OK
All protein atoms have proper chirality, or there is no intact protein
present in the PDB file.
The average deviation= 0.725
 
# 67 # Note: Improper dihedral angle distribution OK
The RMS Z-score for all improper dihedrals in the structure is within normal
ranges.
 
 Improper dihedral RMS Z-score : 0.598
 
# 68 # Note: Tau angle distribution not determined
The RMS Z-score for all tau angles in the structure has not been
determined. That means that the structure either doesn't contain any amino
acids, or contains too few intact amino acids for a proper RMS Z-score
determination.
 
# 69 # Note: Side chain planarity OK
All of the side chains of residues that have an intact planar group are
planar within expected RMS deviations.
 
# 70 # Note: Atoms connected to aromatic rings OK
All of the atoms that are connected to planar aromatic rings in side chains
of amino-acid residues are in the plane within expected RMS deviations.
Since there is no DNA and no protein with hydrogens, no uncalibrated
planarity check was performed.
 
# 71 # Note: Ramachandran Z-score OK
The score expressing how well the backbone conformations of all residues
correspond to the known allowed areas in the Ramachandran plot is within
expected ranges for well-refined structures.
 
 Ramachandran Z-score : 4.907
 
# 72 # Note: Ramachandran check
The list contains per-residue Z-scores describing how well each residue
fits into the allowed areas of the Ramachandran plot will not be printed
because WHAT CHECK found no reason to cry.
 
# 73 # Note: Torsion angles OK
All residues that are intact have normal overall torsion angle scores.
 
# 74 # Note: Backbone torsion angles OK
All individual residues have normal backbone torsion angles.
 
# 75 # Note: Chi-1/chi-2 rotamer normality OK
The list with per-residue Z-scores describing how well each rotamer fits
into the common areas of the chi-1/chi-2 correlation plot will not be
printed as no big problems were observed.
There is not enough intact protein, to perform the rotamer check.
There is not enough intact protein, to perform the backbone
normality check.
 
# 76 # Warning: Backbone conformation Z-score undetermined
A comparison of the backbone conformation with database proteins revealed
not enough information to determine the backbone conformation Z-score.
 
 
# 77 # Warning: Omega angles too tightly restrained
The omega angles for trans-peptide bonds in a structure are expected to give
a gaussian distribution with the average around +178 degrees and a standard
deviation around 5.5 degrees. These expected values were obtained from very
accurately determined structures. Many protein structures are too tightly
restrained. This seems to be the case with the current structure too, as the
observed standard deviation is below 4.0 degrees.
 
Omega average and std. deviation= 177.960 2.955
 
# 78 # Note: No prolines in structure
Since there are no proline residues in the structure, the PRO puckering
check was skipped.
 
# 79 # Note: Backbone oxygen evaluation OK
All residues for which similar local backbone conformations could be found
in the WHAT CHECK database have a backbone oxygen position that has been
observed at least a few times in that database.
 
# 80 # Note: Peptide bond conformations
There was no need to complain about the peptide bond of a single amino acid.
 
# 81 # Error: Abnormally short interatomic distances
The pairs of atoms listed in the table below have an unusually short
interactomic distance; each bump is listed in only one direction.
 
The contact distances of all atom pairs have been checked. Two atoms are
said to `bump' if they are closer than the sum of their Van der Waals radii
minus 0.40 Angstrom. For hydrogen bonded pairs a tolerance of 0.55 Angstrom
is used. The first number in the table tells you how much shorter that
specific contact is than the acceptable limit. The second distance is the
distance between the centres of the two atoms. Although we believe that two
water atoms at 2.4 A distance are too close, we only report water pairs that
are closer than this rather short distance.
 
INTRA and INTER indicate whether the clashes are between atoms in the same
asymmetric unit, or atoms in symmetry related asymmetric units, respectively.
The last text-item on each line represents the status of the atom pair. If
the final column contains the text 'HB', the bump criterion was relaxed
because there could be a hydrogen bond. Similarly relaxed criteria are used
for 1--3 and 1--4 interactions (listed as 'B2' and 'B3', respectively).
If the last column is 'BF', the sum of the B-factors of the atoms is higher
than 80, which makes the appearance of the bump somewhat less severe because
the atoms probably are not there anyway. BL, on the other hand, indicates
that the bumping atoms both have a low B-factor, and that makes the bumps
more worrisome.
 
Bumps between atoms for which the sum of their occupancies is lower than one
are not reported. If the MODEL number does not exist (as is the case in most
X-ray files), a minus sign is printed instead.
 
  122 GLU  ( 593-) C  -    C   <-->  2417 PRO  ( 594-) C  -    CA     0.79    2.41  INTRA
   79 GLU  ( 593-) B  -    C   <-->  1603 PRO  ( 594-) B  -    CA     0.78    2.42  INTRA
  124 GLU  ( 604-) C  -    C   <-->  2432 SER  ( 605-) C  -    CA     0.78    2.42  INTRA
   85 GLU  ( 667-) B  -    C   <-->  1689 LEU  ( 668-) B  -    CA     0.78    2.42  INTRA
  114 GLU  ( 458-) C  -    C   <-->  2266 ILE  ( 459-) C  -    CA     0.78    2.42  INTRA
   91 GLU  (  98-) C  -    C   <-->  1866 PRO  (  99-) C  -    CA     0.78    2.42  INTRA
   40 GLU  ( 636-) A  -    C   <-->   840 PRO  ( 637-) A  -    CA     0.78    2.42  INTRA
  126 GLU  ( 636-) C  -    C   <-->  2468 PRO  ( 637-) C  -    CA     0.77    2.43  INTRA BL
   89 GLU  (  42-) C  -    C   <-->  1806 LEU  (  43-) C  -    CA     0.77    2.43  INTRA
  117 GLU  ( 480-) C  -    C   <-->  2294 LEU  ( 481-) C  -    CA     0.77    2.43  INTRA
   36 GLU  ( 593-) A  -    C   <-->   789 PRO  ( 594-) A  -    CA     0.77    2.43  INTRA
   46 GLU  (  42-) B  -    C   <-->   992 LEU  (  43-) B  -    CA     0.77    2.43  INTRA
    1 GLU  (  15-) A  -    C   <-->   147 ARG  (  16-) A  -    CA     0.76    2.44  INTRA BF
   33 GLU  ( 557-) A  -    C   <-->   747 LEU  ( 558-) A  -    CA     0.76    2.44  INTRA
  113 GLU  ( 455-) C  -    C   <-->  2261 ASN  ( 456-) C  -    CA     0.76    2.44  INTRA
And so on for a total of  5394 lines.
 
# 82 # Note: Some notes regarding these bumps
The bumps have been binned in 5 categories ranging from 'please look at'
till 'must fix'. Additionally, the integrated sum of all bumps, the squared
sum of all bumps, and these latter two values normalized by the number of
contacts are listed too for comparison purposes between, for example, small
and large proteins.
 
Total bump value: 2022.481
Total bump value per residue: 40.865
Total number of bumps: 5394
Total squared bump value: 947.538
Total number of bumps in the mildest bin: 2038
Total number of bumps in the second bin: 1711
Total number of bumps in the middle bin: 1592
Total number of bumps in the fourth bin: 53
Total number of bumps in the worst bin: 0
There is not enough (intact) protein in the PDB file to perform either the
inside/outside distribution check, or the packing normality checks.
Unknown residue type in MOL309B 121 0
Unknown residue type in MOL309B 122 0
Unknown residue type in MOL309B 123 0
Unknown residue type in MOL309B 124 0
Unknown residue type in MOL309B 125 0
Unknown residue type in MOL309B 126 0
Unknown residue type in MOL309B 127 0
Unknown residue type in MOL309B 130 0
Unknown residue type in MOL309B 131 0
Unknown residue type in MOL309B 135 0
Unknown residue type in MOL309B 136 0
Unknown residue type in MOL309B 137 0
Unknown residue type in MOL309B 138 0
Unknown residue type in MOL309B 140 0
Unknown residue type in MOL309B 141 0
Unknown residue type in MOL309B 143 0
Unknown residue type in MOL309B 144 0
Unknown residue type in MOL309B 145 0
Unknown residue type in MOL309B 147 0
Unknown residue type in MOL309B 154 0
Unknown residue type in MOL309B 156 0
Unknown residue type in MOL309B 157 0
Unknown residue type in MOL309B 158 0
Unknown residue type in MOL309B 159 0
Unknown residue type in MOL309B 160 0
Unknown residue type in MOL309B 161 0
Unknown residue type in MOL309B 162 0
Unknown residue type in MOL309B 166 0
Unknown residue type in MOL309B 167 0
Unknown residue type in MOL309B 168 0
Unknown residue type in MOL309B 170 0
Unknown residue type in MOL309B 171 0
Unknown residue type in MOL309B 173 0
Unknown residue type in MOL309B 176 0
Unknown residue type in MOL309B 177 0
Unknown residue type in MOL309B 178 0
Unknown residue type in MOL309B 179 0
Unknown residue type in MOL309B 181 0
Unknown residue type in MOL309B 186 0
Unknown residue type in MOL309B 187 0
Unknown residue type in MOL309B 188 0
Unknown residue type in MOL309B 189 0
Unknown residue type in MOL309B 194 0
Unknown residue type in MOL309B 195 0
Unknown residue type in MOL309B 196 0
Unknown residue type in MOL309B 197 0
Unknown residue type in MOL309B 200 0
Unknown residue type in MOL309B 202 0
Unknown residue type in MOL309B 203 0
Unknown residue type in MOL309B 204 0
Unknown residue type in MOL309B 205 0
Unknown residue type in MOL309B 208 0
Unknown residue type in MOL309B 209 0
Unknown residue type in MOL309B 211 0
Unknown residue type in MOL309B 214 0
Unknown residue type in MOL309B 215 0
Unknown residue type in MOL309B 216 0
Unknown residue type in MOL309B 217 0
Unknown residue type in MOL309B 219 0
Unknown residue type in MOL309B 221 0
Unknown residue type in MOL309B 226 0
Unknown residue type in MOL309B 227 0
Unknown residue type in MOL309B 229 0
Unknown residue type in MOL309B 230 0
Unknown residue type in MOL309B 233 0
Unknown residue type in MOL309B 234 0
Unknown residue type in MOL309B 235 0
Unknown residue type in MOL309B 236 0
Unknown residue type in MOL309B 237 0
Unknown residue type in MOL309B 241 0
Unknown residue type in MOL309B 243 0
Unknown residue type in MOL309B 244 0
Unknown residue type in MOL309B 246 0
Unknown residue type in MOL309B 248 0
Unknown residue type in MOL309B 249 0
Unknown residue type in MOL309B 254 0
Unknown residue type in MOL309B 255 0
Unknown residue type in MOL309B 266 0
Unknown residue type in MOL309B 267 0
Unknown residue type in MOL309B 268 0
Unknown residue type in MOL309B 270 0
Unknown residue type in MOL309B 272 0
Unknown residue type in MOL309B 276 0
Unknown residue type in MOL309B 278 0
Unknown residue type in MOL309B 279 0
Unknown residue type in MOL309B 281 0
Unknown residue type in MOL309B 282 0
Unknown residue type in MOL309B 285 0
Unknown residue type in MOL309B 286 0
Unknown residue type in MOL309B 287 0
Unknown residue type in MOL309B 288 0
Unknown residue type in MOL309B 293 0
Unknown residue type in MOL309B 294 0
Unknown residue type in MOL309B 295 0
Unknown residue type in MOL309B 296 0
Unknown residue type in MOL309B 297 0
Unknown residue type in MOL309B 298 0
Unknown residue type in MOL309B 299 0
Unknown residue type in MOL309B 300 0
Unknown residue type in MOL309B 301 0
Unknown residue type in MOL309B 306 0
Unknown residue type in MOL309B 307 0
Unknown residue type in MOL309B 311 0
Unknown residue type in MOL309B 313 0
Unknown residue type in MOL309B 315 0
Unknown residue type in MOL309B 316 0
Unknown residue type in MOL309B 317 0
Unknown residue type in MOL309B 318 0
Unknown residue type in MOL309B 319 0
Unknown residue type in MOL309B 323 0
Unknown residue type in MOL309B 325 0
Unknown residue type in MOL309B 326 0
Unknown residue type in MOL309B 327 0
Unknown residue type in MOL309B 328 0
Unknown residue type in MOL309B 329 0
Unknown residue type in MOL309B 333 0
Unknown residue type in MOL309B 334 0
Unknown residue type in MOL309B 335 0
Unknown residue type in MOL309B 336 0
Unknown residue type in MOL309B 337 0
Unknown residue type in MOL309B 338 0
Unknown residue type in MOL309B 339 0
Unknown residue type in MOL309B 340 0
Unknown residue type in MOL309B 342 0
Unknown residue type in MOL309B 345 0
Unknown residue type in MOL309B 346 0
Unknown residue type in MOL309B 347 0
Unknown residue type in MOL309B 349 0
Unknown residue type in MOL309B 350 0
Unknown residue type in MOL309B 351 0
Unknown residue type in MOL309B 352 0
Unknown residue type in MOL309B 353 0
Unknown residue type in MOL309B 354 0
Unknown residue type in MOL309B 355 0
Unknown residue type in MOL309B 356 0
Unknown residue type in MOL309B 357 0
Unknown residue type in MOL309B 358 0
Unknown residue type in MOL309B 360 0
Unknown residue type in MOL309B 361 0
Unknown residue type in MOL309B 362 0
Unknown residue type in MOL309B 363 0
Unknown residue type in MOL309B 364 0
Unknown residue type in MOL309B 365 0
Unknown residue type in MOL309B 366 0
Unknown residue type in MOL309B 368 0
Unknown residue type in MOL309B 369 0
Unknown residue type in MOL309B 371 0
Unknown residue type in MOL309B 372 0
Unknown residue type in MOL309B 373 0
Unknown residue type in MOL309B 380 0
Unknown residue type in MOL309B 381 0
Unknown residue type in MOL309B 383 0
Unknown residue type in MOL309B 384 0
Unknown residue type in MOL309B 385 0
Unknown residue type in MOL309B 387 0
Unknown residue type in MOL309B 388 0
Unknown residue type in MOL309B 389 0
Unknown residue type in MOL309B 391 0
Unknown residue type in MOL309B 392 0
Unknown residue type in MOL309B 393 0
Unknown residue type in MOL309B 394 0
Unknown residue type in MOL309B 395 0
Unknown residue type in MOL309B 396 0
Unknown residue type in MOL309B 397 0
Unknown residue type in MOL309B 398 0
Unknown residue type in MOL309B 401 0
Unknown residue type in MOL309B 403 0
Unknown residue type in MOL309B 404 0
Unknown residue type in MOL309B 407 0
Unknown residue type in MOL309B 408 0
Unknown residue type in MOL309B 409 0
Unknown residue type in MOL309B 411 0
Unknown residue type in MOL309B 413 0
Unknown residue type in MOL309B 414 0
Unknown residue type in MOL309B 417 0
Unknown residue type in MOL309B 420 0
Unknown residue type in MOL309B 421 0
Unknown residue type in MOL309B 423 0
Unknown residue type in MOL309B 424 0
Unknown residue type in MOL309B 427 0
Unknown residue type in MOL309B 428 0
Unknown residue type in MOL309B 430 0
Unknown residue type in MOL309B 431 0
Unknown residue type in MOL309B 432 0
Unknown residue type in MOL309B 434 0
Unknown residue type in MOL309B 435 0
Unknown residue type in MOL309B 438 0
Unknown residue type in MOL309B 439 0
Unknown residue type in MOL309B 444 0
Unknown residue type in MOL309B 445 0
Unknown residue type in MOL309B 447 0
Unknown residue type in MOL309B 448 0
Unknown residue type in MOL309B 449 0
Unknown residue type in MOL309B 450 0
Unknown residue type in MOL309B 452 0
Unknown residue type in MOL309B 456 0
Unknown residue type in MOL309B 460 0
Unknown residue type in MOL309B 461 0
Unknown residue type in MOL309B 462 0
Unknown residue type in MOL309B 463 0
Unknown residue type in MOL309B 464 0
Unknown residue type in MOL309B 465 0
Unknown residue type in MOL309B 466 0
Unknown residue type in MOL309B 467 0
Unknown residue type in MOL309B 468 0
Unknown residue type in MOL309B 470 0
Unknown residue type in MOL309B 475 0
Unknown residue type in MOL309B 476 0
Unknown residue type in MOL309B 477 0
Unknown residue type in MOL309B 478 0
Unknown residue type in MOL309B 480 0
Unknown residue type in MOL309B 482 0
Unknown residue type in MOL309B 484 0
Unknown residue type in MOL309B 485 0
Unknown residue type in MOL309B 486 0
Unknown residue type in MOL309B 487 0
Unknown residue type in MOL309B 488 0
Unknown residue type in MOL309B 489 0
Unknown residue type in MOL309B 490 0
Unknown residue type in MOL309B 491 0
Unknown residue type in MOL309B 492 0
Unknown residue type in MOL309B 493 0
Unknown residue type in MOL309B 494 0
Unknown residue type in MOL309B 495 0
Unknown residue type in MOL309B 496 0
Unknown residue type in MOL309B 502 0
Unknown residue type in MOL309B 503 0
Unknown residue type in MOL309B 504 0
Unknown residue type in MOL309B 506 0
Unknown residue type in MOL309B 507 0
Unknown residue type in MOL309B 508 0
Unknown residue type in MOL309B 510 0
Unknown residue type in MOL309B 511 0
Unknown residue type in MOL309B 513 0
Unknown residue type in MOL309B 514 0
Unknown residue type in MOL309B 521 0
Unknown residue type in MOL309B 532 0
Unknown residue type in MOL309B 533 0
Unknown residue type in MOL309B 534 0
Unknown residue type in MOL309B 535 0
Unknown residue type in MOL309B 536 0
Unknown residue type in MOL309B 537 0
Unknown residue type in MOL309B 541 0
Unknown residue type in MOL309B 544 0
Unknown residue type in MOL309B 545 0
Unknown residue type in MOL309B 546 0
Unknown residue type in MOL309B 547 0
Unknown residue type in MOL309B 548 0
Unknown residue type in MOL309B 549 0
Unknown residue type in MOL309B 550 0
Unknown residue type in MOL309B 551 0
Unknown residue type in MOL309B 553 0
Unknown residue type in MOL309B 557 0
Unknown residue type in MOL309B 559 0
Unknown residue type in MOL309B 560 0
Unknown residue type in MOL309B 561 0
Unknown residue type in MOL309B 562 0
Unknown residue type in MOL309B 563 0
Unknown residue type in MOL309B 567 0
Unknown residue type in MOL309B 569 0
Unknown residue type in MOL309B 570 0
Unknown residue type in MOL309B 572 0
Unknown residue type in MOL309B 573 0
Unknown residue type in MOL309B 574 0
Unknown residue type in MOL309B 575 0
Unknown residue type in MOL309B 576 0
Unknown residue type in MOL309B 577 0
Unknown residue type in MOL309B 578 0
Unknown residue type in MOL309B 582 0
Unknown residue type in MOL309B 583 0
Unknown residue type in MOL309B 585 0
Unknown residue type in MOL309B 586 0
Unknown residue type in MOL309B 589 0
Unknown residue type in MOL309B 591 0
Unknown residue type in MOL309B 593 0
Unknown residue type in MOL309B 594 0
Unknown residue type in MOL309B 595 0
Unknown residue type in MOL309B 596 0
Unknown residue type in MOL309B 597 0
Unknown residue type in MOL309B 598 0
Unknown residue type in MOL309B 599 0
Unknown residue type in MOL309B 601 0
Unknown residue type in MOL309B 605 0
Unknown residue type in MOL309B 607 0
Unknown residue type in MOL309B 608 0
Unknown residue type in MOL309B 609 0
Unknown residue type in MOL309B 610 0
Unknown residue type in MOL309B 611 0
Unknown residue type in MOL309B 612 0
Unknown residue type in MOL309B 613 0
Unknown residue type in MOL309B 615 0
Unknown residue type in MOL309B 616 0
Unknown residue type in MOL309B 621 0
Unknown residue type in MOL309B 626 0
Unknown residue type in MOL309B 628 0
Unknown residue type in MOL309B 630 0
Unknown residue type in MOL309B 631 0
Unknown residue type in MOL309B 632 0
Unknown residue type in MOL309B 635 0
Unknown residue type in MOL309B 636 0
Unknown residue type in MOL309B 639 0
Unknown residue type in MOL309B 640 0
Unknown residue type in MOL309B 641 0
Unknown residue type in MOL309B 642 0
Unknown residue type in MOL309B 647 0
Unknown residue type in MOL309B 654 0
Unknown residue type in MOL309B 656 0
Unknown residue type in MOL309B 657 0
Unknown residue type in MOL309B 659 0
Unknown residue type in MOL309B 660 0
Unknown residue type in MOL309B 662 0
Unknown residue type in MOL309B 665 0
Unknown residue type in MOL309B 666 0
Unknown residue type in MOL309B 668 0
Unknown residue type in MOL309B 669 0
Unknown residue type in MOL309B 671 0
Unknown residue type in MOL309B 672 0
Unknown residue type in MOL309B 673 0
Unknown residue type in MOL309B 674 0
Unknown residue type in MOL309B 677 0
Unknown residue type in MOL309B 678 0
Unknown residue type in MOL309B 681 0
Unknown residue type in MOL309B 683 0
Unknown residue type in MOL309B 684 0
Unknown residue type in MOL309B 685 0
Unknown residue type in MOL309B 686 0
Unknown residue type in MOL309B 688 0
Unknown residue type in MOL309B 690 0
Unknown residue type in MOL309B 691 0
Unknown residue type in MOL309B 692 0
Unknown residue type in MOL309B 695 0
Unknown residue type in MOL309B 696 0
Unknown residue type in MOL309B 697 0
Unknown residue type in MOL309B 699 0
Unknown residue type in MOL309B 702 0
Unknown residue type in MOL309B 703 0
Unknown residue type in MOL309B 704 0
Unknown residue type in MOL309B 705 0
Unknown residue type in MOL309B 708 0
Unknown residue type in MOL309B 710 0
Unknown residue type in MOL309B 711 0
Unknown residue type in MOL309B 712 0
Unknown residue type in MOL309B 713 0
Unknown residue type in MOL309B 715 0
Unknown residue type in MOL309B 716 0
Unknown residue type in MOL309B 722 0
Unknown residue type in MOL309B 723 0
Unknown residue type in MOL309B 724 0
Unknown residue type in MOL309B 725 0
Unknown residue type in MOL309B 726 0
Unknown residue type in MOL309B 727 0
Unknown residue type in MOL309B 728 0
Unknown residue type in MOL309B 730 0
Unknown residue type in MOL309B 731 0
Unknown residue type in MOL309B 735 0
Unknown residue type in MOL309B 737 0
Unknown residue type in MOL309B 741 0
Unknown residue type in MOL309B 745 0
Unknown residue type in MOL309B 746 0
Unknown residue type in MOL309B 748 0
Unknown residue type in MOL309B 752 0
Unknown residue type in MOL309B 753 0
Unknown residue type in MOL309B 754 0
Unknown residue type in MOL309B 756 0
Unknown residue type in MOL309B 758 0
Unknown residue type in MOL309B 759 0
Unknown residue type in MOL309B 760 0
Unknown residue type in MOL309B 761 0
Unknown residue type in MOL309B 763 0
Unknown residue type in MOL309B 764 0
Unknown residue type in MOL309B 765 0
Unknown residue type in MOL309B 766 0
Unknown residue type in MOL309B 768 0
Unknown residue type in MOL309B 770 0
Unknown residue type in MOL309B 771 0
Unknown residue type in MOL309B 773 0
Unknown residue type in MOL309B 777 0
Unknown residue type in MOL309B 778 0
Unknown residue type in MOL309B 780 0
Unknown residue type in MOL309B 782 0
Unknown residue type in MOL309B 787 0
Unknown residue type in MOL309B 788 0
Unknown residue type in MOL309B 792 0
Unknown residue type in MOL309B 793 0
Unknown residue type in MOL309B 794 0
Unknown residue type in MOL309B 795 0
Unknown residue type in MOL309B 798 0
Unknown residue type in MOL309B 799 0
Unknown residue type in MOL309B 800 0
Unknown residue type in MOL309B 801 0
Unknown residue type in MOL309B 802 0
Unknown residue type in MOL309B 803 0
Unknown residue type in MOL309B 804 0
Unknown residue type in MOL309B 806 0
Unknown residue type in MOL309B 807 0
Unknown residue type in MOL309B 808 0
Unknown residue type in MOL309B 809 0
Unknown residue type in MOL309B 813 0
Unknown residue type in MOL309B 814 0
Unknown residue type in MOL309B 815 0
Unknown residue type in MOL309B 816 0
Unknown residue type in MOL309B 817 0
Unknown residue type in MOL309B 818 0
Unknown residue type in MOL309B 819 0
Unknown residue type in MOL309B 821 0
Unknown residue type in MOL309B 822 0
Unknown residue type in MOL309B 824 0
Unknown residue type in MOL309B 828 0
Unknown residue type in MOL309B 829 0
Unknown residue type in MOL309B 830 0
Unknown residue type in MOL309B 832 0
Unknown residue type in MOL309B 833 0
Unknown residue type in MOL309B 834 0
Unknown residue type in MOL309B 835 0
Unknown residue type in MOL309B 836 0
Unknown residue type in MOL309B 838 0
Unknown residue type in MOL309B 839 0
Unknown residue type in MOL309B 842 0
Unknown residue type in MOL309B 843 0
Unknown residue type in MOL309B 844 0
Unknown residue type in MOL309B 845 0
Unknown residue type in MOL309B 846 0
Unknown residue type in MOL309B 847 0
Unknown residue type in MOL309B 848 0
Unknown residue type in MOL309B 850 0
Unknown residue type in MOL309B 855 0
Unknown residue type in MOL309B 859 0
Unknown residue type in MOL309B 863 0
Unknown residue type in MOL309B 864 0
Unknown residue type in MOL309B 865 0
Unknown residue type in MOL309B 869 0
Unknown residue type in MOL309B 870 0
Unknown residue type in MOL309B 872 0
Unknown residue type in MOL309B 875 0
Unknown residue type in MOL309B 876 0
Unknown residue type in MOL309B 877 0
Unknown residue type in MOL309B 878 0
Unknown residue type in MOL309B 879 0
Unknown residue type in MOL309B 881 0
Unknown residue type in MOL309B 882 0
Unknown residue type in MOL309B 883 0
Unknown residue type in MOL309B 884 0
Unknown residue type in MOL309B 886 0
Unknown residue type in MOL309B 888 0
Unknown residue type in MOL309B 889 0
Unknown residue type in MOL309B 890 0
Unknown residue type in MOL309B 891 0
Unknown residue type in MOL309B 893 0
Unknown residue type in MOL309B 894 0
Unknown residue type in MOL309B 895 0
Unknown residue type in MOL309B 896 0
Unknown residue type in MOL309B 898 0
Unknown residue type in MOL309B 899 0
Unknown residue type in MOL309B 900 0
Unknown residue type in MOL309B 902 0
Unknown residue type in MOL309B 903 0
Unknown residue type in MOL309B 905 0
Unknown residue type in MOL309B 906 0
Unknown residue type in MOL309B 907 0
Unknown residue type in MOL309B 908 0
Unknown residue type in MOL309B 909 0
Unknown residue type in MOL309B 910 0
Unknown residue type in MOL309B 911 0
Unknown residue type in MOL309B 912 0
Unknown residue type in MOL309B 913 0
Unknown residue type in MOL309B 915 0
Unknown residue type in MOL309B 916 0
Unknown residue type in MOL309B 917 0
Unknown residue type in MOL309B 919 0
Unknown residue type in MOL309B 920 0
Unknown residue type in MOL309B 923 0
Unknown residue type in MOL309B 924 0
Unknown residue type in MOL309B 925 0
Unknown residue type in MOL309B 926 0
Unknown residue type in MOL309B 927 0
Unknown residue type in MOL309B 929 0
Unknown residue type in MOL309B 930 0
Unknown residue type in MOL309B 931 0
Unknown residue type in MOL309B 932 0
Unknown residue type in MOL309B 935 0
Unknown residue type in MOL309B 936 0
Unknown residue type in MOL309B 937 0
Unknown residue type in MOL309B 938 0
Unknown residue type in MOL309B 939 0
Unknown residue type in MOL309B 940 0
Unknown residue type in MOL309B 941 0
Unknown residue type in MOL309B 944 0
Unknown residue type in MOL309B 945 0
Unknown residue type in MOL309B 949 0
Unknown residue type in MOL309B 950 0
Unknown residue type in MOL309B 951 0
Unknown residue type in MOL309B 952 0
Unknown residue type in MOL309B 954 0
Unknown residue type in MOL309B 955 0
Unknown residue type in MOL309B 957 0
Unknown residue type in MOL309B 958 0
Unknown residue type in MOL309B 959 0
Unknown residue type in MOL309B 961 0
Unknown residue type in MOL309B 968 0
Unknown residue type in MOL309B 970 0
Unknown residue type in MOL309B 971 0
Unknown residue type in MOL309B 972 0
Unknown residue type in MOL309B 973 0
Unknown residue type in MOL309B 974 0
Unknown residue type in MOL309B 975 0
Unknown residue type in MOL309B 976 0
Unknown residue type in MOL309B 980 0
Unknown residue type in MOL309B 981 0
Unknown residue type in MOL309B 982 0
Unknown residue type in MOL309B 984 0
Unknown residue type in MOL309B 985 0
Unknown residue type in MOL309B 987 0
Unknown residue type in MOL309B 990 0
Unknown residue type in MOL309B 991 0
Unknown residue type in MOL309B 992 0
Unknown residue type in MOL309B 993 0
Unknown residue type in MOL309B 995 0
Unknown residue type in MOL309B 1000 0
Unknown residue type in MOL309B 1001 0
Unknown residue type in MOL309B 1002 0
Unknown residue type in MOL309B 1003 0
Unknown residue type in MOL309B 1008 0
Unknown residue type in MOL309B 1009 0
Unknown residue type in MOL309B 1010 0
Unknown residue type in MOL309B 1011 0
Unknown residue type in MOL309B 1014 0
Unknown residue type in MOL309B 1016 0
Unknown residue type in MOL309B 1017 0
Unknown residue type in MOL309B 1018 0
Unknown residue type in MOL309B 1019 0
Unknown residue type in MOL309B 1022 0
Unknown residue type in MOL309B 1023 0
Unknown residue type in MOL309B 1025 0
Unknown residue type in MOL309B 1028 0
Unknown residue type in MOL309B 1029 0
Unknown residue type in MOL309B 1030 0
Unknown residue type in MOL309B 1031 0
Unknown residue type in MOL309B 1033 0
Unknown residue type in MOL309B 1035 0
Unknown residue type in MOL309B 1040 0
Unknown residue type in MOL309B 1041 0
Unknown residue type in MOL309B 1043 0
Unknown residue type in MOL309B 1044 0
Unknown residue type in MOL309B 1047 0
Unknown residue type in MOL309B 1048 0
Unknown residue type in MOL309B 1049 0
Unknown residue type in MOL309B 1050 0
Unknown residue type in MOL309B 1051 0
Unknown residue type in MOL309B 1055 0
Unknown residue type in MOL309B 1057 0
Unknown residue type in MOL309B 1058 0
Unknown residue type in MOL309B 1060 0
Unknown residue type in MOL309B 1062 0
Unknown residue type in MOL309B 1063 0
Unknown residue type in MOL309B 1068 0
Unknown residue type in MOL309B 1069 0
Unknown residue type in MOL309B 1080 0
Unknown residue type in MOL309B 1081 0
Unknown residue type in MOL309B 1082 0
Unknown residue type in MOL309B 1084 0
Unknown residue type in MOL309B 1086 0
Unknown residue type in MOL309B 1090 0
Unknown residue type in MOL309B 1092 0
Unknown residue type in MOL309B 1093 0
Unknown residue type in MOL309B 1095 0
Unknown residue type in MOL309B 1096 0
Unknown residue type in MOL309B 1099 0
Unknown residue type in MOL309B 1100 0
Unknown residue type in MOL309B 1101 0
Unknown residue type in MOL309B 1102 0
Unknown residue type in MOL309B 1107 0
Unknown residue type in MOL309B 1108 0
Unknown residue type in MOL309B 1109 0
Unknown residue type in MOL309B 1110 0
Unknown residue type in MOL309B 1111 0
Unknown residue type in MOL309B 1112 0
Unknown residue type in MOL309B 1113 0
Unknown residue type in MOL309B 1114 0
Unknown residue type in MOL309B 1115 0
Unknown residue type in MOL309B 1120 0
Unknown residue type in MOL309B 1121 0
Unknown residue type in MOL309B 1125 0
Unknown residue type in MOL309B 1127 0
Unknown residue type in MOL309B 1129 0
Unknown residue type in MOL309B 1130 0
Unknown residue type in MOL309B 1131 0
Unknown residue type in MOL309B 1132 0
Unknown residue type in MOL309B 1133 0
Unknown residue type in MOL309B 1137 0
Unknown residue type in MOL309B 1139 0
Unknown residue type in MOL309B 1140 0
Unknown residue type in MOL309B 1141 0
Unknown residue type in MOL309B 1142 0
Unknown residue type in MOL309B 1143 0
Unknown residue type in MOL309B 1147 0
Unknown residue type in MOL309B 1148 0
Unknown residue type in MOL309B 1149 0
Unknown residue type in MOL309B 1150 0
Unknown residue type in MOL309B 1151 0
Unknown residue type in MOL309B 1152 0
Unknown residue type in MOL309B 1153 0
Unknown residue type in MOL309B 1154 0
Unknown residue type in MOL309B 1156 0
Unknown residue type in MOL309B 1159 0
Unknown residue type in MOL309B 1160 0
Unknown residue type in MOL309B 1161 0
Unknown residue type in MOL309B 1163 0
Unknown residue type in MOL309B 1164 0
Unknown residue type in MOL309B 1165 0
Unknown residue type in MOL309B 1166 0
Unknown residue type in MOL309B 1167 0
Unknown residue type in MOL309B 1168 0
Unknown residue type in MOL309B 1169 0
Unknown residue type in MOL309B 1170 0
Unknown residue type in MOL309B 1171 0
Unknown residue type in MOL309B 1172 0
Unknown residue type in MOL309B 1174 0
Unknown residue type in MOL309B 1175 0
Unknown residue type in MOL309B 1176 0
Unknown residue type in MOL309B 1177 0
Unknown residue type in MOL309B 1178 0
Unknown residue type in MOL309B 1179 0
Unknown residue type in MOL309B 1180 0
Unknown residue type in MOL309B 1182 0
Unknown residue type in MOL309B 1183 0
Unknown residue type in MOL309B 1185 0
Unknown residue type in MOL309B 1186 0
Unknown residue type in MOL309B 1187 0
Unknown residue type in MOL309B 1194 0
Unknown residue type in MOL309B 1195 0
Unknown residue type in MOL309B 1197 0
Unknown residue type in MOL309B 1198 0
Unknown residue type in MOL309B 1199 0
Unknown residue type in MOL309B 1201 0
Unknown residue type in MOL309B 1202 0
Unknown residue type in MOL309B 1203 0
Unknown residue type in MOL309B 1205 0
Unknown residue type in MOL309B 1206 0
Unknown residue type in MOL309B 1207 0
Unknown residue type in MOL309B 1208 0
Unknown residue type in MOL309B 1209 0
Unknown residue type in MOL309B 1210 0
Unknown residue type in MOL309B 1211 0
Unknown residue type in MOL309B 1212 0
Unknown residue type in MOL309B 1215 0
Unknown residue type in MOL309B 1217 0
Unknown residue type in MOL309B 1218 0
Unknown residue type in MOL309B 1221 0
Unknown residue type in MOL309B 1222 0
Unknown residue type in MOL309B 1223 0
Unknown residue type in MOL309B 1225 0
Unknown residue type in MOL309B 1227 0
Unknown residue type in MOL309B 1228 0
Unknown residue type in MOL309B 1231 0
Unknown residue type in MOL309B 1234 0
Unknown residue type in MOL309B 1235 0
Unknown residue type in MOL309B 1237 0
Unknown residue type in MOL309B 1238 0
Unknown residue type in MOL309B 1241 0
Unknown residue type in MOL309B 1242 0
Unknown residue type in MOL309B 1244 0
Unknown residue type in MOL309B 1245 0
Unknown residue type in MOL309B 1246 0
Unknown residue type in MOL309B 1248 0
Unknown residue type in MOL309B 1249 0
Unknown residue type in MOL309B 1252 0
Unknown residue type in MOL309B 1253 0
Unknown residue type in MOL309B 1258 0
Unknown residue type in MOL309B 1259 0
Unknown residue type in MOL309B 1261 0
Unknown residue type in MOL309B 1262 0
Unknown residue type in MOL309B 1263 0
Unknown residue type in MOL309B 1264 0
Unknown residue type in MOL309B 1266 0
Unknown residue type in MOL309B 1270 0
Unknown residue type in MOL309B 1274 0
Unknown residue type in MOL309B 1275 0
Unknown residue type in MOL309B 1276 0
Unknown residue type in MOL309B 1277 0
Unknown residue type in MOL309B 1278 0
Unknown residue type in MOL309B 1279 0
Unknown residue type in MOL309B 1280 0
Unknown residue type in MOL309B 1281 0
Unknown residue type in MOL309B 1282 0
Unknown residue type in MOL309B 1284 0
Unknown residue type in MOL309B 1289 0
Unknown residue type in MOL309B 1290 0
Unknown residue type in MOL309B 1291 0
Unknown residue type in MOL309B 1292 0
Unknown residue type in MOL309B 1294 0
Unknown residue type in MOL309B 1296 0
Unknown residue type in MOL309B 1298 0
Unknown residue type in MOL309B 1299 0
Unknown residue type in MOL309B 1300 0
Unknown residue type in MOL309B 1301 0
Unknown residue type in MOL309B 1302 0
Unknown residue type in MOL309B 1303 0
Unknown residue type in MOL309B 1304 0
Unknown residue type in MOL309B 1305 0
Unknown residue type in MOL309B 1306 0
Unknown residue type in MOL309B 1307 0
Unknown residue type in MOL309B 1308 0
Unknown residue type in MOL309B 1309 0
Unknown residue type in MOL309B 1310 0
Unknown residue type in MOL309B 1316 0
Unknown residue type in MOL309B 1317 0
Unknown residue type in MOL309B 1318 0
Unknown residue type in MOL309B 1320 0
Unknown residue type in MOL309B 1321 0
Unknown residue type in MOL309B 1322 0
Unknown residue type in MOL309B 1324 0
Unknown residue type in MOL309B 1325 0
Unknown residue type in MOL309B 1327 0
Unknown residue type in MOL309B 1328 0
Unknown residue type in MOL309B 1335 0
Unknown residue type in MOL309B 1346 0
Unknown residue type in MOL309B 1347 0
Unknown residue type in MOL309B 1348 0
Unknown residue type in MOL309B 1349 0
Unknown residue type in MOL309B 1350 0
Unknown residue type in MOL309B 1351 0
Unknown residue type in MOL309B 1355 0
Unknown residue type in MOL309B 1358 0
Unknown residue type in MOL309B 1359 0
Unknown residue type in MOL309B 1360 0
Unknown residue type in MOL309B 1361 0
Unknown residue type in MOL309B 1362 0
Unknown residue type in MOL309B 1363 0
Unknown residue type in MOL309B 1364 0
Unknown residue type in MOL309B 1365 0
Unknown residue type in MOL309B 1367 0
Unknown residue type in MOL309B 1371 0
Unknown residue type in MOL309B 1373 0
Unknown residue type in MOL309B 1374 0
Unknown residue type in MOL309B 1375 0
Unknown residue type in MOL309B 1376 0
Unknown residue type in MOL309B 1377 0
Unknown residue type in MOL309B 1381 0
Unknown residue type in MOL309B 1383 0
Unknown residue type in MOL309B 1384 0
Unknown residue type in MOL309B 1386 0
Unknown residue type in MOL309B 1387 0
Unknown residue type in MOL309B 1388 0
Unknown residue type in MOL309B 1389 0
Unknown residue type in MOL309B 1390 0
Unknown residue type in MOL309B 1391 0
Unknown residue type in MOL309B 1392 0
Unknown residue type in MOL309B 1396 0
Unknown residue type in MOL309B 1397 0
Unknown residue type in MOL309B 1399 0
Unknown residue type in MOL309B 1400 0
Unknown residue type in MOL309B 1403 0
Unknown residue type in MOL309B 1405 0
Unknown residue type in MOL309B 1407 0
Unknown residue type in MOL309B 1408 0
Unknown residue type in MOL309B 1409 0
Unknown residue type in MOL309B 1410 0
Unknown residue type in MOL309B 1411 0
Unknown residue type in MOL309B 1412 0
Unknown residue type in MOL309B 1413 0
Unknown residue type in MOL309B 1415 0
Unknown residue type in MOL309B 1419 0
Unknown residue type in MOL309B 1421 0
Unknown residue type in MOL309B 1422 0
Unknown residue type in MOL309B 1423 0
Unknown residue type in MOL309B 1424 0
Unknown residue type in MOL309B 1425 0
Unknown residue type in MOL309B 1426 0
Unknown residue type in MOL309B 1427 0
Unknown residue type in MOL309B 1429 0
Unknown residue type in MOL309B 1430 0
Unknown residue type in MOL309B 1435 0
Unknown residue type in MOL309B 1440 0
Unknown residue type in MOL309B 1442 0
Unknown residue type in MOL309B 1444 0
Unknown residue type in MOL309B 1445 0
Unknown residue type in MOL309B 1446 0
Unknown residue type in MOL309B 1449 0
Unknown residue type in MOL309B 1450 0
Unknown residue type in MOL309B 1453 0
Unknown residue type in MOL309B 1454 0
Unknown residue type in MOL309B 1455 0
Unknown residue type in MOL309B 1456 0
Unknown residue type in MOL309B 1461 0
Unknown residue type in MOL309B 1468 0
Unknown residue type in MOL309B 1470 0
Unknown residue type in MOL309B 1471 0
Unknown residue type in MOL309B 1473 0
Unknown residue type in MOL309B 1474 0
Unknown residue type in MOL309B 1476 0
Unknown residue type in MOL309B 1479 0
Unknown residue type in MOL309B 1480 0
Unknown residue type in MOL309B 1482 0
Unknown residue type in MOL309B 1483 0
Unknown residue type in MOL309B 1485 0
Unknown residue type in MOL309B 1486 0
Unknown residue type in MOL309B 1487 0
Unknown residue type in MOL309B 1488 0
Unknown residue type in MOL309B 1491 0
Unknown residue type in MOL309B 1492 0
Unknown residue type in MOL309B 1495 0
Unknown residue type in MOL309B 1497 0
Unknown residue type in MOL309B 1498 0
Unknown residue type in MOL309B 1499 0
Unknown residue type in MOL309B 1500 0
Unknown residue type in MOL309B 1502 0
Unknown residue type in MOL309B 1504 0
Unknown residue type in MOL309B 1505 0
Unknown residue type in MOL309B 1506 0
Unknown residue type in MOL309B 1509 0
Unknown residue type in MOL309B 1510 0
Unknown residue type in MOL309B 1511 0
Unknown residue type in MOL309B 1513 0
Unknown residue type in MOL309B 1516 0
Unknown residue type in MOL309B 1517 0
Unknown residue type in MOL309B 1518 0
Unknown residue type in MOL309B 1519 0
Unknown residue type in MOL309B 1522 0
Unknown residue type in MOL309B 1524 0
Unknown residue type in MOL309B 1525 0
Unknown residue type in MOL309B 1526 0
Unknown residue type in MOL309B 1527 0
Unknown residue type in MOL309B 1529 0
Unknown residue type in MOL309B 1530 0
Unknown residue type in MOL309B 1536 0
Unknown residue type in MOL309B 1537 0
Unknown residue type in MOL309B 1538 0
Unknown residue type in MOL309B 1539 0
Unknown residue type in MOL309B 1540 0
Unknown residue type in MOL309B 1541 0
Unknown residue type in MOL309B 1542 0
Unknown residue type in MOL309B 1544 0
Unknown residue type in MOL309B 1545 0
Unknown residue type in MOL309B 1549 0
Unknown residue type in MOL309B 1551 0
Unknown residue type in MOL309B 1555 0
Unknown residue type in MOL309B 1559 0
Unknown residue type in MOL309B 1560 0
Unknown residue type in MOL309B 1562 0
Unknown residue type in MOL309B 1566 0
Unknown residue type in MOL309B 1567 0
Unknown residue type in MOL309B 1568 0
Unknown residue type in MOL309B 1570 0
Unknown residue type in MOL309B 1572 0
Unknown residue type in MOL309B 1573 0
Unknown residue type in MOL309B 1574 0
Unknown residue type in MOL309B 1575 0
Unknown residue type in MOL309B 1577 0
Unknown residue type in MOL309B 1578 0
Unknown residue type in MOL309B 1579 0
Unknown residue type in MOL309B 1580 0
Unknown residue type in MOL309B 1582 0
Unknown residue type in MOL309B 1584 0
Unknown residue type in MOL309B 1585 0
Unknown residue type in MOL309B 1587 0
Unknown residue type in MOL309B 1591 0
Unknown residue type in MOL309B 1592 0
Unknown residue type in MOL309B 1594 0
Unknown residue type in MOL309B 1596 0
Unknown residue type in MOL309B 1601 0
Unknown residue type in MOL309B 1602 0
Unknown residue type in MOL309B 1606 0
Unknown residue type in MOL309B 1607 0
Unknown residue type in MOL309B 1608 0
Unknown residue type in MOL309B 1609 0
Unknown residue type in MOL309B 1612 0
Unknown residue type in MOL309B 1613 0
Unknown residue type in MOL309B 1614 0
Unknown residue type in MOL309B 1615 0
Unknown residue type in MOL309B 1616 0
Unknown residue type in MOL309B 1617 0
Unknown residue type in MOL309B 1618 0
Unknown residue type in MOL309B 1620 0
Unknown residue type in MOL309B 1621 0
Unknown residue type in MOL309B 1622 0
Unknown residue type in MOL309B 1623 0
Unknown residue type in MOL309B 1627 0
Unknown residue type in MOL309B 1628 0
Unknown residue type in MOL309B 1629 0
Unknown residue type in MOL309B 1630 0
Unknown residue type in MOL309B 1631 0
Unknown residue type in MOL309B 1632 0
Unknown residue type in MOL309B 1633 0
Unknown residue type in MOL309B 1635 0
Unknown residue type in MOL309B 1636 0
Unknown residue type in MOL309B 1638 0
Unknown residue type in MOL309B 1642 0
Unknown residue type in MOL309B 1643 0
Unknown residue type in MOL309B 1644 0
Unknown residue type in MOL309B 1646 0
Unknown residue type in MOL309B 1647 0
Unknown residue type in MOL309B 1648 0
Unknown residue type in MOL309B 1649 0
Unknown residue type in MOL309B 1650 0
Unknown residue type in MOL309B 1652 0
Unknown residue type in MOL309B 1653 0
Unknown residue type in MOL309B 1656 0
Unknown residue type in MOL309B 1657 0
Unknown residue type in MOL309B 1658 0
Unknown residue type in MOL309B 1659 0
Unknown residue type in MOL309B 1660 0
Unknown residue type in MOL309B 1661 0
Unknown residue type in MOL309B 1662 0
Unknown residue type in MOL309B 1664 0
Unknown residue type in MOL309B 1669 0
Unknown residue type in MOL309B 1673 0
Unknown residue type in MOL309B 1677 0
Unknown residue type in MOL309B 1678 0
Unknown residue type in MOL309B 1679 0
Unknown residue type in MOL309B 1683 0
Unknown residue type in MOL309B 1684 0
Unknown residue type in MOL309B 1686 0
Unknown residue type in MOL309B 1689 0
Unknown residue type in MOL309B 1690 0
Unknown residue type in MOL309B 1691 0
Unknown residue type in MOL309B 1692 0
Unknown residue type in MOL309B 1693 0
Unknown residue type in MOL309B 1695 0
Unknown residue type in MOL309B 1696 0
Unknown residue type in MOL309B 1697 0
Unknown residue type in MOL309B 1698 0
Unknown residue type in MOL309B 1700 0
Unknown residue type in MOL309B 1702 0
Unknown residue type in MOL309B 1703 0
Unknown residue type in MOL309B 1704 0
Unknown residue type in MOL309B 1705 0
Unknown residue type in MOL309B 1707 0
Unknown residue type in MOL309B 1708 0
Unknown residue type in MOL309B 1709 0
Unknown residue type in MOL309B 1710 0
Unknown residue type in MOL309B 1712 0
Unknown residue type in MOL309B 1713 0
Unknown residue type in MOL309B 1714 0
Unknown residue type in MOL309B 1716 0
Unknown residue type in MOL309B 1717 0
Unknown residue type in MOL309B 1719 0
Unknown residue type in MOL309B 1720 0
Unknown residue type in MOL309B 1721 0
Unknown residue type in MOL309B 1722 0
Unknown residue type in MOL309B 1723 0
Unknown residue type in MOL309B 1724 0
Unknown residue type in MOL309B 1725 0
Unknown residue type in MOL309B 1726 0
Unknown residue type in MOL309B 1727 0
Unknown residue type in MOL309B 1729 0
Unknown residue type in MOL309B 1730 0
Unknown residue type in MOL309B 1731 0
Unknown residue type in MOL309B 1733 0
Unknown residue type in MOL309B 1734 0
Unknown residue type in MOL309B 1737 0
Unknown residue type in MOL309B 1738 0
Unknown residue type in MOL309B 1739 0
Unknown residue type in MOL309B 1740 0
Unknown residue type in MOL309B 1741 0
Unknown residue type in MOL309B 1743 0
Unknown residue type in MOL309B 1744 0
Unknown residue type in MOL309B 1745 0
Unknown residue type in MOL309B 1746 0
Unknown residue type in MOL309B 1749 0
Unknown residue type in MOL309B 1750 0
Unknown residue type in MOL309B 1751 0
Unknown residue type in MOL309B 1752 0
Unknown residue type in MOL309B 1753 0
Unknown residue type in MOL309B 1754 0
Unknown residue type in MOL309B 1755 0
Unknown residue type in MOL309B 1758 0
Unknown residue type in MOL309B 1759 0
Unknown residue type in MOL309B 1763 0
Unknown residue type in MOL309B 1764 0
Unknown residue type in MOL309B 1765 0
Unknown residue type in MOL309B 1766 0
Unknown residue type in MOL309B 1768 0
Unknown residue type in MOL309B 1769 0
Unknown residue type in MOL309B 1771 0
Unknown residue type in MOL309B 1772 0
Unknown residue type in MOL309B 1773 0
Unknown residue type in MOL309B 1775 0
Unknown residue type in MOL309B 1782 0
Unknown residue type in MOL309B 1784 0
Unknown residue type in MOL309B 1785 0
Unknown residue type in MOL309B 1786 0
Unknown residue type in MOL309B 1787 0
Unknown residue type in MOL309B 1788 0
Unknown residue type in MOL309B 1789 0
Unknown residue type in MOL309B 1790 0
Unknown residue type in MOL309B 1794 0
Unknown residue type in MOL309B 1795 0
Unknown residue type in MOL309B 1796 0
Unknown residue type in MOL309B 1798 0
Unknown residue type in MOL309B 1799 0
Unknown residue type in MOL309B 1801 0
Unknown residue type in MOL309B 1804 0
Unknown residue type in MOL309B 1805 0
Unknown residue type in MOL309B 1806 0
Unknown residue type in MOL309B 1807 0
Unknown residue type in MOL309B 1809 0
Unknown residue type in MOL309B 1814 0
Unknown residue type in MOL309B 1815 0
Unknown residue type in MOL309B 1816 0
Unknown residue type in MOL309B 1817 0
Unknown residue type in MOL309B 1822 0
Unknown residue type in MOL309B 1823 0
Unknown residue type in MOL309B 1824 0
Unknown residue type in MOL309B 1825 0
Unknown residue type in MOL309B 1828 0
Unknown residue type in MOL309B 1830 0
Unknown residue type in MOL309B 1831 0
Unknown residue type in MOL309B 1832 0
Unknown residue type in MOL309B 1833 0
Unknown residue type in MOL309B 1836 0
Unknown residue type in MOL309B 1837 0
Unknown residue type in MOL309B 1839 0
Unknown residue type in MOL309B 1842 0
Unknown residue type in MOL309B 1843 0
Unknown residue type in MOL309B 1844 0
Unknown residue type in MOL309B 1845 0
Unknown residue type in MOL309B 1847 0
Unknown residue type in MOL309B 1849 0
Unknown residue type in MOL309B 1854 0
Unknown residue type in MOL309B 1855 0
Unknown residue type in MOL309B 1857 0
Unknown residue type in MOL309B 1858 0
Unknown residue type in MOL309B 1861 0
Unknown residue type in MOL309B 1862 0
Unknown residue type in MOL309B 1863 0
Unknown residue type in MOL309B 1864 0
Unknown residue type in MOL309B 1865 0
Unknown residue type in MOL309B 1869 0
Unknown residue type in MOL309B 1871 0
Unknown residue type in MOL309B 1872 0
Unknown residue type in MOL309B 1874 0
Unknown residue type in MOL309B 1876 0
Unknown residue type in MOL309B 1877 0
Unknown residue type in MOL309B 1882 0
Unknown residue type in MOL309B 1883 0
Unknown residue type in MOL309B 1894 0
Unknown residue type in MOL309B 1895 0
Unknown residue type in MOL309B 1896 0
Unknown residue type in MOL309B 1898 0
Unknown residue type in MOL309B 1900 0
Unknown residue type in MOL309B 1904 0
Unknown residue type in MOL309B 1906 0
Unknown residue type in MOL309B 1907 0
Unknown residue type in MOL309B 1909 0
Unknown residue type in MOL309B 1910 0
Unknown residue type in MOL309B 1913 0
Unknown residue type in MOL309B 1914 0
Unknown residue type in MOL309B 1915 0
Unknown residue type in MOL309B 1916 0
Unknown residue type in MOL309B 1921 0
Unknown residue type in MOL309B 1922 0
Unknown residue type in MOL309B 1923 0
Unknown residue type in MOL309B 1924 0
Unknown residue type in MOL309B 1925 0
Unknown residue type in MOL309B 1926 0
Unknown residue type in MOL309B 1927 0
Unknown residue type in MOL309B 1928 0
Unknown residue type in MOL309B 1929 0
Unknown residue type in MOL309B 1934 0
Unknown residue type in MOL309B 1935 0
Unknown residue type in MOL309B 1939 0
Unknown residue type in MOL309B 1941 0
Unknown residue type in MOL309B 1943 0
Unknown residue type in MOL309B 1944 0
Unknown residue type in MOL309B 1945 0
Unknown residue type in MOL309B 1946 0
Unknown residue type in MOL309B 1947 0
Unknown residue type in MOL309B 1951 0
Unknown residue type in MOL309B 1953 0
Unknown residue type in MOL309B 1954 0
Unknown residue type in MOL309B 1955 0
Unknown residue type in MOL309B 1956 0
Unknown residue type in MOL309B 1957 0
Unknown residue type in MOL309B 1961 0
Unknown residue type in MOL309B 1962 0
Unknown residue type in MOL309B 1963 0
Unknown residue type in MOL309B 1964 0
Unknown residue type in MOL309B 1965 0
Unknown residue type in MOL309B 1966 0
Unknown residue type in MOL309B 1967 0
Unknown residue type in MOL309B 1968 0
Unknown residue type in MOL309B 1970 0
Unknown residue type in MOL309B 1973 0
Unknown residue type in MOL309B 1974 0
Unknown residue type in MOL309B 1975 0
Unknown residue type in MOL309B 1977 0
Unknown residue type in MOL309B 1978 0
Unknown residue type in MOL309B 1979 0
Unknown residue type in MOL309B 1980 0
Unknown residue type in MOL309B 1981 0
Unknown residue type in MOL309B 1982 0
Unknown residue type in MOL309B 1983 0
Unknown residue type in MOL309B 1984 0
Unknown residue type in MOL309B 1985 0
Unknown residue type in MOL309B 1986 0
Unknown residue type in MOL309B 1988 0
Unknown residue type in MOL309B 1989 0
Unknown residue type in MOL309B 1990 0
Unknown residue type in MOL309B 1991 0
Unknown residue type in MOL309B 1992 0
Unknown residue type in MOL309B 1993 0
Unknown residue type in MOL309B 1994 0
Unknown residue type in MOL309B 1996 0
Unknown residue type in MOL309B 1997 0
Unknown residue type in MOL309B 1999 0
Unknown residue type in MOL309B 2000 0
Unknown residue type in MOL309B 2001 0
Unknown residue type in MOL309B 2008 0
Unknown residue type in MOL309B 2009 0
Unknown residue type in MOL309B 2011 0
Unknown residue type in MOL309B 2012 0
Unknown residue type in MOL309B 2013 0
Unknown residue type in MOL309B 2015 0
Unknown residue type in MOL309B 2016 0
Unknown residue type in MOL309B 2017 0
Unknown residue type in MOL309B 2019 0
Unknown residue type in MOL309B 2020 0
Unknown residue type in MOL309B 2021 0
Unknown residue type in MOL309B 2022 0
Unknown residue type in MOL309B 2023 0
Unknown residue type in MOL309B 2024 0
Unknown residue type in MOL309B 2025 0
Unknown residue type in MOL309B 2026 0
Unknown residue type in MOL309B 2029 0
Unknown residue type in MOL309B 2031 0
Unknown residue type in MOL309B 2032 0
Unknown residue type in MOL309B 2035 0
Unknown residue type in MOL309B 2036 0
Unknown residue type in MOL309B 2037 0
Unknown residue type in MOL309B 2039 0
Unknown residue type in MOL309B 2041 0
Unknown residue type in MOL309B 2042 0
Unknown residue type in MOL309B 2045 0
Unknown residue type in MOL309B 2048 0
Unknown residue type in MOL309B 2049 0
Unknown residue type in MOL309B 2051 0
Unknown residue type in MOL309B 2052 0
Unknown residue type in MOL309B 2055 0
Unknown residue type in MOL309B 2056 0
Unknown residue type in MOL309B 2058 0
Unknown residue type in MOL309B 2059 0
Unknown residue type in MOL309B 2060 0
Unknown residue type in MOL309B 2062 0
Unknown residue type in MOL309B 2063 0
Unknown residue type in MOL309B 2066 0
Unknown residue type in MOL309B 2067 0
Unknown residue type in MOL309B 2072 0
Unknown residue type in MOL309B 2073 0
Unknown residue type in MOL309B 2075 0
Unknown residue type in MOL309B 2076 0
Unknown residue type in MOL309B 2077 0
Unknown residue type in MOL309B 2078 0
Unknown residue type in MOL309B 2080 0
Unknown residue type in MOL309B 2084 0
Unknown residue type in MOL309B 2088 0
Unknown residue type in MOL309B 2089 0
Unknown residue type in MOL309B 2090 0
Unknown residue type in MOL309B 2091 0
Unknown residue type in MOL309B 2092 0
Unknown residue type in MOL309B 2093 0
Unknown residue type in MOL309B 2094 0
Unknown residue type in MOL309B 2095 0
Unknown residue type in MOL309B 2096 0
Unknown residue type in MOL309B 2098 0
Unknown residue type in MOL309B 2103 0
Unknown residue type in MOL309B 2104 0
Unknown residue type in MOL309B 2105 0
Unknown residue type in MOL309B 2106 0
Unknown residue type in MOL309B 2108 0
Unknown residue type in MOL309B 2110 0
Unknown residue type in MOL309B 2112 0
Unknown residue type in MOL309B 2113 0
Unknown residue type in MOL309B 2114 0
Unknown residue type in MOL309B 2115 0
Unknown residue type in MOL309B 2116 0
Unknown residue type in MOL309B 2117 0
Unknown residue type in MOL309B 2118 0
Unknown residue type in MOL309B 2119 0
Unknown residue type in MOL309B 2120 0
Unknown residue type in MOL309B 2121 0
Unknown residue type in MOL309B 2122 0
Unknown residue type in MOL309B 2123 0
Unknown residue type in MOL309B 2124 0
Unknown residue type in MOL309B 2130 0
Unknown residue type in MOL309B 2131 0
Unknown residue type in MOL309B 2132 0
Unknown residue type in MOL309B 2134 0
Unknown residue type in MOL309B 2135 0
Unknown residue type in MOL309B 2136 0
Unknown residue type in MOL309B 2138 0
Unknown residue type in MOL309B 2139 0
Unknown residue type in MOL309B 2141 0
Unknown residue type in MOL309B 2142 0
Unknown residue type in MOL309B 2149 0
Unknown residue type in MOL309B 2160 0
Unknown residue type in MOL309B 2161 0
Unknown residue type in MOL309B 2162 0
Unknown residue type in MOL309B 2163 0
Unknown residue type in MOL309B 2164 0
Unknown residue type in MOL309B 2165 0
Unknown residue type in MOL309B 2169 0
Unknown residue type in MOL309B 2172 0
Unknown residue type in MOL309B 2173 0
Unknown residue type in MOL309B 2174 0
Unknown residue type in MOL309B 2175 0
Unknown residue type in MOL309B 2176 0
Unknown residue type in MOL309B 2177 0
Unknown residue type in MOL309B 2178 0
Unknown residue type in MOL309B 2179 0
Unknown residue type in MOL309B 2181 0
Unknown residue type in MOL309B 2185 0
Unknown residue type in MOL309B 2187 0
Unknown residue type in MOL309B 2188 0
Unknown residue type in MOL309B 2189 0
Unknown residue type in MOL309B 2190 0
Unknown residue type in MOL309B 2191 0
Unknown residue type in MOL309B 2195 0
Unknown residue type in MOL309B 2197 0
Unknown residue type in MOL309B 2198 0
Unknown residue type in MOL309B 2200 0
Unknown residue type in MOL309B 2201 0
Unknown residue type in MOL309B 2202 0
Unknown residue type in MOL309B 2203 0
Unknown residue type in MOL309B 2204 0
Unknown residue type in MOL309B 2205 0
Unknown residue type in MOL309B 2206 0
Unknown residue type in MOL309B 2210 0
Unknown residue type in MOL309B 2211 0
Unknown residue type in MOL309B 2213 0
Unknown residue type in MOL309B 2214 0
Unknown residue type in MOL309B 2217 0
Unknown residue type in MOL309B 2219 0
Unknown residue type in MOL309B 2221 0
Unknown residue type in MOL309B 2222 0
Unknown residue type in MOL309B 2223 0
Unknown residue type in MOL309B 2224 0
Unknown residue type in MOL309B 2225 0
Unknown residue type in MOL309B 2226 0
Unknown residue type in MOL309B 2227 0
Unknown residue type in MOL309B 2229 0
Unknown residue type in MOL309B 2233 0
Unknown residue type in MOL309B 2235 0
Unknown residue type in MOL309B 2236 0
Unknown residue type in MOL309B 2237 0
Unknown residue type in MOL309B 2238 0
Unknown residue type in MOL309B 2239 0
Unknown residue type in MOL309B 2240 0
Unknown residue type in MOL309B 2241 0
Unknown residue type in MOL309B 2243 0
Unknown residue type in MOL309B 2244 0
Unknown residue type in MOL309B 2249 0
Unknown residue type in MOL309B 2254 0
Unknown residue type in MOL309B 2256 0
Unknown residue type in MOL309B 2258 0
Unknown residue type in MOL309B 2259 0
Unknown residue type in MOL309B 2260 0
Unknown residue type in MOL309B 2263 0
Unknown residue type in MOL309B 2264 0
Unknown residue type in MOL309B 2267 0
Unknown residue type in MOL309B 2268 0
Unknown residue type in MOL309B 2269 0
Unknown residue type in MOL309B 2270 0
Unknown residue type in MOL309B 2275 0
Unknown residue type in MOL309B 2282 0
Unknown residue type in MOL309B 2284 0
Unknown residue type in MOL309B 2285 0
Unknown residue type in MOL309B 2287 0
Unknown residue type in MOL309B 2288 0
Unknown residue type in MOL309B 2290 0
Unknown residue type in MOL309B 2293 0
Unknown residue type in MOL309B 2294 0
Unknown residue type in MOL309B 2296 0
Unknown residue type in MOL309B 2297 0
Unknown residue type in MOL309B 2299 0
Unknown residue type in MOL309B 2300 0
Unknown residue type in MOL309B 2301 0
Unknown residue type in MOL309B 2302 0
Unknown residue type in MOL309B 2305 0
Unknown residue type in MOL309B 2306 0
Unknown residue type in MOL309B 2309 0
Unknown residue type in MOL309B 2311 0
Unknown residue type in MOL309B 2312 0
Unknown residue type in MOL309B 2313 0
Unknown residue type in MOL309B 2314 0
Unknown residue type in MOL309B 2316 0
Unknown residue type in MOL309B 2318 0
Unknown residue type in MOL309B 2319 0
Unknown residue type in MOL309B 2320 0
Unknown residue type in MOL309B 2323 0
Unknown residue type in MOL309B 2324 0
Unknown residue type in MOL309B 2325 0
Unknown residue type in MOL309B 2327 0
Unknown residue type in MOL309B 2330 0
Unknown residue type in MOL309B 2331 0
Unknown residue type in MOL309B 2332 0
Unknown residue type in MOL309B 2333 0
Unknown residue type in MOL309B 2336 0
Unknown residue type in MOL309B 2338 0
Unknown residue type in MOL309B 2339 0
Unknown residue type in MOL309B 2340 0
Unknown residue type in MOL309B 2341 0
Unknown residue type in MOL309B 2343 0
Unknown residue type in MOL309B 2344 0
Unknown residue type in MOL309B 2350 0
Unknown residue type in MOL309B 2351 0
Unknown residue type in MOL309B 2352 0
Unknown residue type in MOL309B 2353 0
Unknown residue type in MOL309B 2354 0
Unknown residue type in MOL309B 2355 0
Unknown residue type in MOL309B 2356 0
Unknown residue type in MOL309B 2358 0
Unknown residue type in MOL309B 2359 0
Unknown residue type in MOL309B 2363 0
Unknown residue type in MOL309B 2365 0
Unknown residue type in MOL309B 2369 0
Unknown residue type in MOL309B 2373 0
Unknown residue type in MOL309B 2374 0
Unknown residue type in MOL309B 2376 0
Unknown residue type in MOL309B 2380 0
Unknown residue type in MOL309B 2381 0
Unknown residue type in MOL309B 2382 0
Unknown residue type in MOL309B 2384 0
Unknown residue type in MOL309B 2386 0
Unknown residue type in MOL309B 2387 0
Unknown residue type in MOL309B 2388 0
Unknown residue type in MOL309B 2389 0
Unknown residue type in MOL309B 2391 0
Unknown residue type in MOL309B 2392 0
Unknown residue type in MOL309B 2393 0
Unknown residue type in MOL309B 2394 0
Unknown residue type in MOL309B 2396 0
Unknown residue type in MOL309B 2398 0
Unknown residue type in MOL309B 2399 0
Unknown residue type in MOL309B 2401 0
Unknown residue type in MOL309B 2405 0
Unknown residue type in MOL309B 2406 0
Unknown residue type in MOL309B 2408 0
Unknown residue type in MOL309B 2410 0
Unknown residue type in MOL309B 2415 0
Unknown residue type in MOL309B 2416 0
Unknown residue type in MOL309B 2420 0
Unknown residue type in MOL309B 2421 0
Unknown residue type in MOL309B 2422 0
Unknown residue type in MOL309B 2423 0
Unknown residue type in MOL309B 2426 0
Unknown residue type in MOL309B 2427 0
Unknown residue type in MOL309B 2428 0
Unknown residue type in MOL309B 2429 0
Unknown residue type in MOL309B 2430 0
Unknown residue type in MOL309B 2431 0
Unknown residue type in MOL309B 2432 0
Unknown residue type in MOL309B 2434 0
Unknown residue type in MOL309B 2435 0
Unknown residue type in MOL309B 2436 0
Unknown residue type in MOL309B 2437 0
Unknown residue type in MOL309B 2441 0
Unknown residue type in MOL309B 2442 0
Unknown residue type in MOL309B 2443 0
Unknown residue type in MOL309B 2444 0
Unknown residue type in MOL309B 2445 0
Unknown residue type in MOL309B 2446 0
Unknown residue type in MOL309B 2447 0
Unknown residue type in MOL309B 2449 0
Unknown residue type in MOL309B 2450 0
Unknown residue type in MOL309B 2452 0
Unknown residue type in MOL309B 2456 0
Unknown residue type in MOL309B 2457 0
Unknown residue type in MOL309B 2458 0
Unknown residue type in MOL309B 2460 0
Unknown residue type in MOL309B 2461 0
Unknown residue type in MOL309B 2462 0
Unknown residue type in MOL309B 2463 0
Unknown residue type in MOL309B 2464 0
Unknown residue type in MOL309B 2466 0
Unknown residue type in MOL309B 2467 0
Unknown residue type in MOL309B 2470 0
Unknown residue type in MOL309B 2471 0
Unknown residue type in MOL309B 2472 0
Unknown residue type in MOL309B 2473 0
Unknown residue type in MOL309B 2474 0
Unknown residue type in MOL309B 2475 0
Unknown residue type in MOL309B 2476 0
Unknown residue type in MOL309B 2478 0
Unknown residue type in MOL309B 2483 0
Unknown residue type in MOL309B 2487 0
Unknown residue type in MOL309B 2491 0
Unknown residue type in MOL309B 2492 0
Unknown residue type in MOL309B 2493 0
Unknown residue type in MOL309B 2497 0
Unknown residue type in MOL309B 2498 0
Unknown residue type in MOL309B 2500 0
Unknown residue type in MOL309B 2503 0
Unknown residue type in MOL309B 2504 0
Unknown residue type in MOL309B 2505 0
Unknown residue type in MOL309B 2506 0
Unknown residue type in MOL309B 2507 0
Unknown residue type in MOL309B 2509 0
Unknown residue type in MOL309B 2510 0
Unknown residue type in MOL309B 2511 0
Unknown residue type in MOL309B 2512 0
Unknown residue type in MOL309B 2514 0
Unknown residue type in MOL309B 2516 0
Unknown residue type in MOL309B 2517 0
Unknown residue type in MOL309B 2518 0
Unknown residue type in MOL309B 2519 0
Unknown residue type in MOL309B 2521 0
Unknown residue type in MOL309B 2522 0
Unknown residue type in MOL309B 2523 0
Unknown residue type in MOL309B 2524 0
Unknown residue type in MOL309B 2526 0
Unknown residue type in MOL309B 2527 0
Unknown residue type in MOL309B 2528 0
Unknown residue type in MOL309B 2530 0
Unknown residue type in MOL309B 2531 0
Unknown residue type in MOL309B 2533 0
Unknown residue type in MOL309B 2534 0
Unknown residue type in MOL309B 2535 0
Unknown residue type in MOL309B 2536 0
Unknown residue type in MOL309B 2537 0
Unknown residue type in MOL309B 2538 0
Unknown residue type in MOL309B 2539 0
Unknown residue type in MOL309B 2540 0
Unknown residue type in MOL309B 2541 0
Unknown residue type in MOL309B 2543 0
Unknown residue type in MOL309B 2544 0
Unknown residue type in MOL309B 2545 0
Unknown residue type in MOL309B 2547 0
Unknown residue type in MOL309B 2548 0
Unknown residue type in MOL309B 2551 0
Unknown residue type in MOL309B 2552 0
Unknown residue type in MOL309B 2553 0
Unknown residue type in MOL309B 2554 0
Unknown residue type in MOL309B 2555 0
Unknown residue type in MOL309B 2557 0
Unknown residue type in MOL309B 2558 0
Unknown residue type in MOL309B 2559 0
Unknown residue type in MOL309B 2560 0
Unknown residue type in MOL309B 2563 0
Unknown residue type in MOL309B 2564 0
Unknown residue type in MOL309B 2566 0
Unknown residue type in MOL309B 2570 0
Unknown residue type in MOL309B 2572 0
Unknown residue type in MOL309B 2575 0
Unknown residue type in MOL309B 2576 0
Unknown residue type in MOL309B 2577 0
Unknown residue type in MOL309B 2579 0
Unknown residue type in MOL309B 2580 0
Unknown residue type in MOL309B 2581 0
Unknown residue type in MOL309B 2582 0
Unknown residue type in MOL309B 2584 0
Unknown residue type in MOL309B 2588 0
Unknown residue type in MOL309B 2590 0
Unknown residue type in MOL309B 2593 0
Unknown residue type in MOL309B 2594 0
Unknown residue type in MOL309B 2595 0
Unknown residue type in MOL309B 2597 0
Unknown residue type in MOL309B 2598 0
Unknown residue type in MOL309B 2599 0
Unknown residue type in MOL309B 2600 0
Unknown residue type in MOL309B 2602 0
Unknown residue type in MOL309B 2606 0
Unknown residue type in MOL309B 2608 0
Unknown residue type in MOL309B 2611 0
Unknown residue type in MOL309B 2612 0
Unknown residue type in MOL309B 2613 0
Unknown residue type in MOL309B 2615 0
Unknown residue type in MOL309B 2616 0
Unknown residue type in MOL309B 2617 0
Unknown residue type in MOL309B 2618 0
Unknown residue type in MOL309B 2619 0
 
# 83 # Note: Content of the PDB file as interpreted by WHAT CHECK
Content of the PDB file as interpreted by WHAT CHECK.
WHAT CHECK has read your PDB file, and stored it internally in what is called
'the soup'. The content of this soup is listed here. An extensive explanation
of this output can be found at swift.cmbi.ru.nl. Look under output formats.
A course on reading this 'Molecules' table is part of the WHAT CHECK website.
 
Many hydrogen bond related checks skipped.
 
The content of the PDB file makes most hydrogen bond related checks rather
useless. For just nucleic acids these checks do not add much value and when
there are either no amino acids, or too many broken amino acids the outcome
of this set of checks cannot be trusted. So, please keep your brain switched
on while looking at the validation results in this section.
 
     1     1 (   15)     1 (   15) A Prote<<             /zata/tempdir/2xa...
     2     2 (   31)     2 (   31) A Prote<<             /zata/tempdir/2xa...
     3     3 (   42)     3 (   42) A Prote<<             /zata/tempdir/2xa...
     4     4 (   60)     4 (   60) A Prote<<             /zata/tempdir/2xa...
     5     5 (   98)     5 (   98) A Prote<<             /zata/tempdir/2xa...
     6     6 (  111)     6 (  111) A Prote<<             /zata/tempdir/2xa...
     7     7 (  121)     7 (  121) A Prote<<             /zata/tempdir/2xa...
     8     8 (  125)    10 (  127) A Prote<=             /zata/tempdir/2xa...
     9    11 (  152)    11 (  152) A Prote<<             /zata/tempdir/2xa...
    10    12 (  164)    12 (  164) A Prote<<             /zata/tempdir/2xa...
    11    13 (  167)    13 (  167) A Prote<<             /zata/tempdir/2xa...
    12    14 (  187)    14 (  187) A Prote<<             /zata/tempdir/2xa...
    13    15 (  229)    15 (  229) A Prote<<             /zata/tempdir/2xa...
    14    16 (  312)    16 (  312) A Prote<<             /zata/tempdir/2xa...
    15    17 (  314)    17 (  314) A Prote<<             /zata/tempdir/2xa...
And so on for a total of  2625 lines.
 
# 84 # Warning: No crystallisation information
No, or very inadequate, crystallisation information was observed upon
reading the PDB file header records. This information should be available
in the form of a series of REMARK 280 lines. Without this information a
few things, such as checking ions in the structure, cannot be performed
optimally.
 
# 85 # Error: Water clusters without contacts with non-water atoms
The water molecules listed in the table below are part of water molecule
clusters that do not make contacts with non-waters. These water molecules are
part of clusters that have a distance at least 1 Angstrom larger than the
sum of the Van der Waals radii to the nearest non-solvent atom. Because
these kinds of water clusters usually are not observed with X-ray diffraction
their presence could indicate a refinement artifact. The number in brackets
is the identifier of the water molecule in the input file.
 
 2632 HOH  (2152 ) A  -    O
 2633 HOH  (2047 ) B  -    O
 2634 HOH  (2027 ) C  -    O
 
# 86 # Note: No waters need moving
All water molecules are sufficiently close to the asymmetric unit given in
the input file.
 
# 87 # Error: Water molecules without hydrogen bonds
The water molecules listed in the table below do not form any hydrogen bonds,
neither with the protein or DNA/RNA, nor with other water molecules. This is
a strong indication of a refinement problem.
 
 2632 HOH  (2001 ) A  -    O
 2632 HOH  (2002 ) A  -    O
 2632 HOH  (2004 ) A  -    O
 2632 HOH  (2006 ) A  -    O
 2632 HOH  (2007 ) A  -    O
 2632 HOH  (2008 ) A  -    O
 2632 HOH  (2010 ) A  -    O
 2632 HOH  (2011 ) A  -    O
 2632 HOH  (2012 ) A  -    O
 2632 HOH  (2013 ) A  -    O
 2632 HOH  (2014 ) A  -    O
 2632 HOH  (2015 ) A  -    O
 2632 HOH  (2025 ) A  -    O
 2632 HOH  (2027 ) A  -    O
 2632 HOH  (2032 ) A  -    O
And so on for a total of   288 lines.
 
# 88 # Note: Summary report
This is an overall summary of the quality of the structure as compared with
current reliable structures. Numbers in brackets are the average and standard
deviation observed for a large number of files determined with a similar
resolution.
 
The second table mostly gives an impression of how well the model conforms
to common refinement restraint values. These numbers are less than 1.0 if the
spread in data is too little, and larger than 1.0 when the spread is too
large. The former does not need to be a problem, the latter always is bad.
 
 Structure Z-scores, positive is better than average:
  Resolution read from PDB file  :   2.100
  Ramachandran plot appearance   :   4.907 (          (  -1.1,  1.2))
 
 RMS Z-scores, should be close to 1.0:
  Bond lengths                   :   0.193 (tight)
  Bond angles                    :   0.439 (tight)
  Omega angle restraints         :   0.537 (tight)
  Side chain planarity           :   0.000 (tight)
  Improper dihedral distribution :   0.598
  B-factor distribution          :   0.477
 
# 89 # Note: Introduction to refinement recommendations
First, be aware that the recommendations for crystallographers listed below
are produced by a computer program that was written by a guy who got his
PhD in NMR...
 
We have tried to convert the messages written in this report into a small
set of things you can do with your refinement software to get a better
structure. The things you should do first are listed first. And in some
cases you should first fix that problem, then refine a bit further, and
then run WHAT CHECK again before looking at other problems. If, for example,
WHAT CHECK has found a problem with the SCALE and CRYST cards, then you must
first fix that problem, refine the structure a bit further, and run WHAT
CHECK again because errors in the SCALE and or CRYST card can lead to many
problems elsewhere in the validation process.
 
It is also important to keep in mind that WHAT CHECK is software and that it
occasionally totally misunderstands what is the cause of a problem. But, if
WHAT CHECK lists a problem there normally is a problem albeit that it not
always is the actual problem that gets listed.
 
# 90 # Warning: Validation report has little value
WHAT CHECK was designed to validate normal protein structures. It is
neither the ideal validation tool for nucleic acid structures, nor for
protein structures of which you already know that there is trouble. For
example, if you only deposit coordinates for the alpha carbons, this
report becomes nearly meaningless.
Number of amino acids in the PDB file : 132
of which there are intact only : 0
 
# 91 # Note: Matthews coefficient problem
WHAT CHECK detected a Matthews coefficient problem. Most times this is an
administrative problem caused by typing the wrong cell multiplicity number
on the CRYST card (or not typing it at all). Occasionally it is caused by
typing the wrong space group on the CRYST card. You better fix this problem,
but normally this problem does not cause WHAT CHECK to give any erroneous
error messages further down in the report.
 
# 92 # Error: Bumps in your structure
Upon analysing the bumps in your structure, WHAT CHECK got very, very
worried. Sometimes this means that you have forgotten to lower the
occupancy of overlapping ligands, residues, or water molecules. But,
whatever is the origin of this problem, you have to analyse it and
fix it.
 
# 93 # Note: Bond length variabilty Z-score low
With a resolution of 1.5-2.5 Angstrom, you might have enough data to warrant
more bond length variability that we observed (less than 0.25). If your
resolution is close to 1.5 Angstrom, you should allow the refinement
software more freedom when it comes to applying the bond length target
restraints. If your resolution is close to 2.5 Angstrom, you should do
this too, but you might want to be a bit careful with it.
 
# 94 # Note: Bond angle variabilty Z-score low
With a resolution of 1.5-2.5 Angstrom, you might have enough data to warrant
more bond angle variability that we observed (less than 0.5). If your
resolution is close to 1.5 Angstrom, you can consider allowing the
refinement software more freedom when it comes to applying the bond angle
target restraints. If your resolution is close to 2.5 Angstrom, you can do
this too, but you might want to be a bit careful.
 
# 95 # Note: Free floating waters
Your structure contains many water molecules that make no hydrogen bonds at
all. These waters must be removed, and you must then refine a bit further
before running WHAT CHECK again.
 
# 96 # Warning: Troublesome residues
The residues listed in the table below need to be inspected
 
This table is a very rough attempt to sort the residues according to how
badly they need your attention. The idea is that when you sit in  in front
of the graphics screen and study the residues with the electron density
present that you improve the structure most by dealing with the top residues
in this list first.
 
  126 GLU  ( 636-) C  -     52.66
  112 GLU  ( 441-) C  -     33.45
  128 GLU  ( 667-) C  -     32.70
   83 GLU  ( 636-) B  -     13.51
   40 GLU  ( 636-) A  -     13.01
   36 GLU  ( 593-) A  -     12.92
  122 GLU  ( 593-) C  -     12.89
   79 GLU  ( 593-) B  -     12.79
  100 GLU  ( 187-) C  -      9.52
   86 GLU  ( 671-) B  -      9.36
   46 GLU  (  42-) B  -      9.34
  129 GLU  ( 671-) C  -      9.31
   89 GLU  (  42-) C  -      9.15
   68 GLU  ( 405-) B  -      9.13
  119 GLU  ( 557-) C  -      9.08
And so on for a total of   104 lines.
==============
 
 
WHAT IF
    G.Vriend,
      WHAT IF: a molecular modelling and drug design program,
    J. Mol. Graph. 8, 52--56 (1990).
 
WHAT_CHECK (verification routines from WHAT IF)
    R.W.W.Hooft, G.Vriend, C.Sander and E.E.Abola,
      Errors in protein structures
    Nature 381, 272 (1996).
    (see also http://swift.cmbi.ru.nl/gv/whatcheck for a course and extra
    information)
 
PDB facilities
    Touw WG, Baakman C, Black J, te Beek TA, Krieger E, Joosten RP, Vriend G.
      A series of PDB-related databanks for everyday needs.
    Nucleic Acids Research D364-368 Database issue (2015).
 
Bond lengths and angles, protein residues
    R.Engh and R.Huber,
      Accurate bond and angle parameters for X-ray protein structure
      refinement,
    Acta Crystallogr. A47, 392--400 (1991) and
    R.Engh and R.Huber,
    International Tables for Crystallography (2001)
 
 
Bond lengths and angles, DNA/RNA
    G.Parkinson, J.Voitechovsky, L.Clowney, A.T.Bruenger and H.Berman,
      New parameters for the refinement of nucleic acid-containing structures
    Acta Crystallogr. D52, 57--64 (1996).
 
DSSP
    W.Kabsch and C.Sander,
      Dictionary of protein secondary structure: pattern
      recognition of hydrogen bond and geometrical features
    Biopolymers 22, 2577--2637 (1983).
 
Hydrogen bond networks
    R.W.W.Hooft, C.Sander and G.Vriend,
      Positioning hydrogen atoms by optimizing hydrogen bond networks in
      protein structures
    PROTEINS, 26, 363--376 (1996).
 
Matthews' Coefficient
    B.W.Matthews
      Solvent content of Protein Crystals
    J. Mol. Biol. 33, 491--497 (1968).
 
Peptide flips
    Touw WG, Joosten RP, Vriend G.
      Detection of trans-cis flips and peptide-plane flips in protein
      structures.
    Acta Crystallogr D Biological Crystallograhy 71, 1604-1614 (2015).
 
Protein side chain planarity
    R.W.W. Hooft, C. Sander and G. Vriend,
      Verification of protein structures: side-chain planarity
    J. Appl. Cryst. 29, 714--716 (1996).
 
Puckering parameters
    D.Cremer and J.A.Pople,
      A general definition of ring puckering coordinates
    J. Am. Chem. Soc. 97, 1354--1358 (1975).
 
Quality Control
    G.Vriend and C.Sander,
      Quality control of protein models: directional atomic
      contact analysis,
    J. Appl. Cryst. 26, 47--60 (1993).
 
Ramachandran plot
    G.N.Ramachandran, C.Ramakrishnan and V.Sasisekharan,
      Stereochemistry of Polypeptide Chain Conformations
    J. Mol. Biol. 7, 95--99 (1963).
    R.W.W. Hooft, C.Sander and G.Vriend,
      Objectively judging the quality of a protein structure from a
      Ramachandran plot
    CABIOS (1997), 13, 425--430.
 
Symmetry Checks
    R.W.W.Hooft, C.Sander and G.Vriend,
      Reconstruction of symmetry related molecules from protein
      data bank (PDB) files
    J. Appl. Cryst. 27, 1006--1009 (1994).
 
Tau angle
    W.G.Touw and G.Vriend
      On the complexity of Engh and Huber refinement restraints: the angle
      tau as example.
    Acta Crystallogr D 66, 1341--1350 (2010).
 
Ion Checks
    I.D.Brown and K.K.Wu,
      Empirical Parameters for Calculating Cation-Oxygen Bond Valences
    Acta Cryst. B32, 1957--1959 (1975).
 
    M.Nayal and E.Di Cera,
      Valence Screening of Water in Protein Crystals Reveals Potential Na+
      Binding Sites
    J.Mol.Biol. 256 228--234 (1996).
 
    P.Mueller, S.Koepke and G.M.Sheldrick,
      Is the bond-valence method able to identify metal atoms in protein
      structures?
    Acta Cryst. D 59 32--37 (2003).
 
Checking checks
    K.Wilson, C.Sander, R.W.W.Hooft, G.Vriend, et al.
      Who checks the checkers
    J.Mol.Biol. (1998) 276,417-436.
==============
 
 
WHAT IF
    G.Vriend,
      WHAT IF: a molecular modelling and drug design program,
    J. Mol. Graph. 8, 52--56 (1990).
 
WHAT_CHECK (verification routines from WHAT IF)
    R.W.W.Hooft, G.Vriend, C.Sander and E.E.Abola,
      Errors in protein structures
    Nature 381, 272 (1996).
    (see also http://swift.cmbi.ru.nl/gv/whatcheck for a course and extra
    information)
 
PDB facilities
    Touw WG, Baakman C, Black J, te Beek TA, Krieger E, Joosten RP, Vriend G.
      A series of PDB-related databanks for everyday needs.
    Nucleic Acids Research D364-368 Database issue (2015).
 
Bond lengths and angles, protein residues
    R.Engh and R.Huber,
      Accurate bond and angle parameters for X-ray protein structure
      refinement,
    Acta Crystallogr. A47, 392--400 (1991) and
    R.Engh and R.Huber,
    International Tables for Crystallography (2001)
 
 
Bond lengths and angles, DNA/RNA
    G.Parkinson, J.Voitechovsky, L.Clowney, A.T.Bruenger and H.Berman,
      New parameters for the refinement of nucleic acid-containing structures
    Acta Crystallogr. D52, 57--64 (1996).
 
DSSP
    W.Kabsch and C.Sander,
      Dictionary of protein secondary structure: pattern
      recognition of hydrogen bond and geometrical features
    Biopolymers 22, 2577--2637 (1983).
 
Hydrogen bond networks
    R.W.W.Hooft, C.Sander and G.Vriend,
      Positioning hydrogen atoms by optimizing hydrogen bond networks in
      protein structures
    PROTEINS, 26, 363--376 (1996).
 
Matthews' Coefficient
    B.W.Matthews
      Solvent content of Protein Crystals
    J. Mol. Biol. 33, 491--497 (1968).
 
Peptide flips
    Touw WG, Joosten RP, Vriend G.
      Detection of trans-cis flips and peptide-plane flips in protein
      structures.
    Acta Crystallogr D Biological Crystallograhy 71, 1604-1614 (2015).
 
Protein side chain planarity
    R.W.W. Hooft, C. Sander and G. Vriend,
      Verification of protein structures: side-chain planarity
    J. Appl. Cryst. 29, 714--716 (1996).
 
Puckering parameters
    D.Cremer and J.A.Pople,
      A general definition of ring puckering coordinates
    J. Am. Chem. Soc. 97, 1354--1358 (1975).
 
Quality Control
    G.Vriend and C.Sander,
      Quality control of protein models: directional atomic
      contact analysis,
    J. Appl. Cryst. 26, 47--60 (1993).
 
Ramachandran plot
    G.N.Ramachandran, C.Ramakrishnan and V.Sasisekharan,
      Stereochemistry of Polypeptide Chain Conformations
    J. Mol. Biol. 7, 95--99 (1963).
    R.W.W. Hooft, C.Sander and G.Vriend,
      Objectively judging the quality of a protein structure from a
      Ramachandran plot
    CABIOS (1997), 13, 425--430.
 
Symmetry Checks
    R.W.W.Hooft, C.Sander and G.Vriend,
      Reconstruction of symmetry related molecules from protein
      data bank (PDB) files
    J. Appl. Cryst. 27, 1006--1009 (1994).
 
Tau angle
    W.G.Touw and G.Vriend
      On the complexity of Engh and Huber refinement restraints: the angle
      tau as example.
    Acta Crystallogr D 66, 1341--1350 (2010).
 
Ion Checks
    I.D.Brown and K.K.Wu,
      Empirical Parameters for Calculating Cation-Oxygen Bond Valences
    Acta Cryst. B32, 1957--1959 (1975).
 
    M.Nayal and E.Di Cera,
      Valence Screening of Water in Protein Crystals Reveals Potential Na+
      Binding Sites
    J.Mol.Biol. 256 228--234 (1996).
 
    P.Mueller, S.Koepke and G.M.Sheldrick,
      Is the bond-valence method able to identify metal atoms in protein
      structures?
    Acta Cryst. D 59 32--37 (2003).
 
Checking checks
    K.Wilson, C.Sander, R.W.W.Hooft, G.Vriend, et al.
      Who checks the checkers
    J.Mol.Biol. (1998) 276,417-436.
