# File: dssp-extension.dic # Date: 30-May-2023 data_dssp-extension.dic _datablock.id dssp-extension.dic _datablock.description ; This data block holds the dictionary for Secondary Structure information as written by e.g. DSSP ; _dictionary.title dssp-extension.dic _dictionary.datablock_id dssp-extension.dic _dictionary.version 1.1 loop_ _dictionary_history.version _dictionary_history.update _dictionary_history.revision 1.0 2023-05-30 ; Initial release ; 1.1 2025-02-26 ; Changes (mlh) + Added dictionary blocks ; ######################################## ## Category dssp_struct_bridge_pairs ## ######################################## save_dssp_struct_bridge_pairs # _category.description 'dssp_struct_bridge_pairs describes bridge pairs as assigned by DSSP.' _category.id dssp_struct_bridge_pairs _category.mandatory_code no # _category_key.name '_dssp_struct_bridge_pairs.id' loop_ _category_group.id 'inclusive_group' 'struct_group' # loop_ _category_examples.detail _category_examples.case # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ; Example taken from 1cbs, first bridge pair ; ; _dssp_struct_bridge_pairs.id 2 _dssp_struct_bridge_pairs.label_comp_id ASN _dssp_struct_bridge_pairs.label_seq_id 2 _dssp_struct_bridge_pairs.label_asym_id A _dssp_struct_bridge_pairs.auth_seq_id 2 _dssp_struct_bridge_pairs.auth_asym_id A _dssp_struct_bridge_pairs.pdbx_PDB_ins_code ? _dssp_struct_bridge_pairs.acceptor_1_label_comp_id PHE _dssp_struct_bridge_pairs.acceptor_1_label_seq_id 3 _dssp_struct_bridge_pairs.acceptor_1_label_asym_id A _dssp_struct_bridge_pairs.acceptor_1_auth_seq_id 3 _dssp_struct_bridge_pairs.acceptor_1_auth_asym_id A _dssp_struct_bridge_pairs.acceptor_1_pdbx_PDB_ins_code ? _dssp_struct_bridge_pairs.acceptor_1_energy -0.1 _dssp_struct_bridge_pairs.acceptor_2_label_comp_id SER _dssp_struct_bridge_pairs.acceptor_2_label_seq_id 4 _dssp_struct_bridge_pairs.acceptor_2_label_asym_id A _dssp_struct_bridge_pairs.acceptor_2_auth_seq_id 4 _dssp_struct_bridge_pairs.acceptor_2_auth_asym_id A _dssp_struct_bridge_pairs.acceptor_2_pdbx_PDB_ins_code ? _dssp_struct_bridge_pairs.acceptor_2_energy -0.1 _dssp_struct_bridge_pairs.donor_1_label_comp_id ASN _dssp_struct_bridge_pairs.donor_1_label_seq_id 91 _dssp_struct_bridge_pairs.donor_1_label_asym_id A _dssp_struct_bridge_pairs.donor_1_auth_seq_id 91 _dssp_struct_bridge_pairs.donor_1_auth_asym_id A _dssp_struct_bridge_pairs.donor_1_pdbx_PDB_ins_code ? _dssp_struct_bridge_pairs.donor_1_energy -0.0 _dssp_struct_bridge_pairs.donor_2_label_comp_id GLU _dssp_struct_bridge_pairs.donor_2_label_seq_id 46 _dssp_struct_bridge_pairs.donor_2_label_asym_id A _dssp_struct_bridge_pairs.donor_2_auth_seq_id 46 _dssp_struct_bridge_pairs.donor_2_auth_asym_id A _dssp_struct_bridge_pairs.donor_2_pdbx_PDB_ins_code ? _dssp_struct_bridge_pairs.donor_2_energy -0.0 ; save_ # save__dssp_struct_bridge_pairs.id _item.description ; The value of _dssp_struct_bridge_pairs.id must uniquely identify a record in the dssp_struct_bridge_pairs list. ; _item.name '_dssp_struct_bridge_pairs.id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code yes _item_type.code code save_ save__dssp_struct_bridge_pairs.label_comp_id _item.description ; A component of the identifier for this monomer. This data item is a pointer to _chem_comp.id in the CHEM_COMP category. ; _item.name '_dssp_struct_bridge_pairs.label_comp_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code yes _item_type.code ucode save_ save__dssp_struct_bridge_pairs.label_seq_id _item.description ; A component of the identifier for this monomer. ; _item.name '_dssp_struct_bridge_pairs.label_seq_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code yes _item_type.code int save_ save__dssp_struct_bridge_pairs.label_asym_id _item.description ; A component of the identifier for this monomer ; _item.name '_dssp_struct_bridge_pairs.label_asym_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code yes _item_type.code code save_ save__dssp_struct_bridge_pairs.auth_seq_id _item.description ; A component of the identifier for this monomer ; _item.name '_dssp_struct_bridge_pairs.auth_seq_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code int save_ save__dssp_struct_bridge_pairs.auth_asym_id _item.description ; A component of the identifier for this monomer ; _item.name '_dssp_struct_bridge_pairs.auth_asym_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.pdbx_PDB_ins_code _item.description ; A component of the identifier for this monomer ; _item.name '_dssp_struct_bridge_pairs.pdbx_PDB_ins_code' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.acceptor_1_label_comp_id _item.description ; A component of the identifier of the first residue that forms a bridge pair with this monomer where this monomer is the donor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_1_label_comp_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code ucode save_ save__dssp_struct_bridge_pairs.acceptor_1_label_seq_id _item.description ; A component of the identifier of the first residue that forms a bridge pair with this monomer where this monomer is the donor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_1_label_seq_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code int save_ save__dssp_struct_bridge_pairs.acceptor_1_label_asym_id _item.description ; A component of the identifier of the first residue that forms a bridge pair with this monomer where this monomer is the donor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_1_label_asym_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.acceptor_1_auth_seq_id _item.description ; A component of the identifier of the first residue that forms a bridge pair with this monomer where this monomer is the donor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_1_auth_seq_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code int save_ save__dssp_struct_bridge_pairs.acceptor_1_auth_asym_id _item.description ; A component of the identifier of the first residue that forms a bridge pair with this monomer where this monomer is the donor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_1_auth_asym_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.acceptor_1_pdbx_PDB_ins_code _item.description ; A component of the identifier of the first residue that forms a bridge pair with this monomer where this monomer is the donor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_1_pdbx_PDB_ins_code' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.acceptor_1_energy _item.description ; The calculated energy for the H-bond between this residue and the first acceptor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_1_energy' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code float save_ save__dssp_struct_bridge_pairs.acceptor_2_label_comp_id _item.description ; A component of the identifier of the second residue that forms a bridge pair with this monomer where this monomer is the donor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_2_label_comp_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code ucode save_ save__dssp_struct_bridge_pairs.acceptor_2_label_seq_id _item.description ; A component of the identifier of the second residue that forms a bridge pair with this monomer where this monomer is the donor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_2_label_seq_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code int save_ save__dssp_struct_bridge_pairs.acceptor_2_label_asym_id _item.description ; A component of the identifier of the second residue that forms a bridge pair with this monomer where this monomer is the donor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_2_label_asym_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.acceptor_2_auth_seq_id _item.description ; A component of the identifier of the second residue that forms a bridge pair with this monomer where this monomer is the donor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_2_auth_seq_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code int save_ save__dssp_struct_bridge_pairs.acceptor_2_auth_asym_id _item.description ; A component of the identifier of the second residue that forms a bridge pair with this monomer where this monomer is the donor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_2_auth_asym_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.acceptor_2_pdbx_PDB_ins_code _item.description ; A component of the identifier of the second residue that forms a bridge pair with this monomer where this monomer is the donor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_2_pdbx_PDB_ins_code' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.acceptor_2_energy _item.description ; The calculated energy for the H-bond between this residue and the second acceptor. ; _item.name '_dssp_struct_bridge_pairs.acceptor_2_energy' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code float save_ save__dssp_struct_bridge_pairs.donor_1_label_comp_id _item.description ; A component of the identifier of the first residue that forms a bridge pair with this monomer where this monomer is the acceptor. ; _item.name '_dssp_struct_bridge_pairs.donor_1_label_comp_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code ucode save_ save__dssp_struct_bridge_pairs.donor_1_label_seq_id _item.description ; A component of the identifier of the first residue that forms a bridge pair with this monomer where this monomer is the acceptor. ; _item.name '_dssp_struct_bridge_pairs.donor_1_label_seq_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code int save_ save__dssp_struct_bridge_pairs.donor_1_label_asym_id _item.description ; A component of the identifier of the first residue that forms a bridge pair with this monomer where this monomer is the acceptor. ; _item.name '_dssp_struct_bridge_pairs.donor_1_label_asym_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.donor_1_auth_seq_id _item.description ; A component of the identifier of the first residue that forms a bridge pair with this monomer where this monomer is the acceptor. ; _item.name '_dssp_struct_bridge_pairs.donor_1_auth_seq_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code int save_ save__dssp_struct_bridge_pairs.donor_1_auth_asym_id _item.description ; A component of the identifier of the first residue that forms a bridge pair with this monomer where this monomer is the acceptor. ; _item.name '_dssp_struct_bridge_pairs.donor_1_auth_asym_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.donor_1_pdbx_PDB_ins_code _item.description ; A component of the identifier of the first residue that forms a bridge pair with this monomer where this monomer is the acceptor. ; _item.name '_dssp_struct_bridge_pairs.donor_1_pdbx_PDB_ins_code' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.donor_1_energy _item.description ; The calculated energy for the H-bond between this residue and the first donor. ; _item.name '_dssp_struct_bridge_pairs.donor_1_energy' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code float save_ save__dssp_struct_bridge_pairs.donor_2_label_comp_id _item.description ; A component of the identifier of the second residue that forms a bridge pair with this monomer where this monomer is the acceptor. ; _item.name '_dssp_struct_bridge_pairs.donor_2_label_comp_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code ucode save_ save__dssp_struct_bridge_pairs.donor_2_label_seq_id _item.description ; A component of the identifier of the second residue that forms a bridge pair with this monomer where this monomer is the acceptor. ; _item.name '_dssp_struct_bridge_pairs.donor_2_label_seq_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code int save_ save__dssp_struct_bridge_pairs.donor_2_label_asym_id _item.description ; A component of the identifier of the second residue that forms a bridge pair with this monomer where this monomer is the acceptor. ; _item.name '_dssp_struct_bridge_pairs.donor_2_label_asym_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.donor_2_auth_seq_id _item.description ; A component of the identifier of the second residue that forms a bridge pair with this monomer where this monomer is the acceptor. ; _item.name '_dssp_struct_bridge_pairs.donor_2_auth_seq_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code int save_ save__dssp_struct_bridge_pairs.donor_2_auth_asym_id _item.description ; A component of the identifier of the second residue that forms a bridge pair with this monomer where this monomer is the acceptor. ; _item.name '_dssp_struct_bridge_pairs.donor_2_auth_asym_id' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.donor_2_pdbx_PDB_ins_code _item.description ; A component of the identifier of the second residue that forms a bridge pair with this monomer where this monomer is the acceptor. ; _item.name '_dssp_struct_bridge_pairs.donor_2_pdbx_PDB_ins_code' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code code save_ save__dssp_struct_bridge_pairs.donor_2_energy _item.description ; The calculated energy for the H-bond between this residue and the second donor. ; _item.name '_dssp_struct_bridge_pairs.donor_2_energy' _item.category_id dssp_struct_bridge_pairs _item.mandatory_code no _item_type.code float save_ ######################################## ## Category dssp_struct_ladder ## ######################################## save_dssp_struct_ladder # _category.description 'dssp_struct_ladder describes ladders as assigned by DSSP.' _category.id dssp_struct_ladder _category.mandatory_code no # _category_key.name '_dssp_struct_ladder.id' loop_ _category_group.id 'inclusive_group' 'struct_group' # loop_ _category_examples.detail _category_examples.case # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ; Example taken from 1cbs, first ladder ; ; _dssp_struct_ladder.id A _dssp_struct_ladder.sheet_id A _dssp_struct_ladder.range_id_1 A _dssp_struct_ladder.range_id_2 B _dssp_struct_ladder.type anti-parallel _dssp_struct_ladder.beg_1_label_comp_id GLY _dssp_struct_ladder.beg_1_label_asym_id A _dssp_struct_ladder.beg_1_label_seq_id 5 _dssp_struct_ladder.pdbx_beg_1_PDB_ins_code ? _dssp_struct_ladder.end_1_label_comp_id TRP _dssp_struct_ladder.end_1_label_asym_id A _dssp_struct_ladder.end_1_label_seq_id 7 _dssp_struct_ladder.pdbx_end_1_PDB_ins_code ? _dssp_struct_ladder.beg_1_auth_comp_id GLY _dssp_struct_ladder.beg_1_auth_asym_id A _dssp_struct_ladder.beg_1_auth_seq_id 5 _dssp_struct_ladder.end_1_auth_comp_id TRP _dssp_struct_ladder.end_1_auth_asym_id A _dssp_struct_ladder.end_1_auth_seq_id 7 _dssp_struct_ladder.beg_2_label_comp_id ILE _dssp_struct_ladder.beg_2_label_asym_id A _dssp_struct_ladder.beg_2_label_seq_id 43 _dssp_struct_ladder.pdbx_beg_2_PDB_ins_code ? _dssp_struct_ladder.end_2_label_comp_id VAL _dssp_struct_ladder.end_2_label_asym_id A _dssp_struct_ladder.end_2_label_seq_id 41 _dssp_struct_ladder.pdbx_end_2_PDB_ins_code ? _dssp_struct_ladder.beg_2_auth_comp_id ILE _dssp_struct_ladder.beg_2_auth_asym_id A _dssp_struct_ladder.beg_2_auth_seq_id 43 _dssp_struct_ladder.end_2_auth_comp_id VAL _dssp_struct_ladder.end_2_auth_asym_id A _dssp_struct_ladder.end_2_auth_seq_id 41 ; save_ save__dssp_struct_ladder.id _item.description ; The value of _dssp_struct_ladder.id must uniquely identify a record in the dssp_struct_ladder list. ; _item.name '_dssp_struct_ladder.id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code code save_ save__dssp_struct_ladder.sheet_id _item.description ; This data item is a pointer to _struct_sheet.id in the STRUCT_SHEET category. ; _item.name '_dssp_struct_ladder.sheet_id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code code save_ save__dssp_struct_ladder.range_id_1 _item.description ; This data item is a pointer to _struct_sheet_range.id in the STRUCT_SHEET_RANGE category. ; _item.name '_dssp_struct_ladder.range_id_1' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code code save_ save__dssp_struct_ladder.range_id_2 _item.description ; This data item is a pointer to _struct_sheet_range.id in the STRUCT_SHEET_RANGE category. ; _item.name '_dssp_struct_ladder.range_id_2' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code code save_ save__dssp_struct_ladder.type _item.description ; The type of the ladder, be it parallel or anti-parallel ; _item.name '_dssp_struct_ladder.type' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code code loop_ _item_enumeration.value _item_enumeration.detail parallel 'The strands forming a ladder are oriented parallel' anti-parallel 'The strands forming a ladder are oriented anti-parallel' save_ save__dssp_struct_ladder.beg_1_label_comp_id _item.description ; A component of the identifier for the residue at which the first ladder segment begins. ; _item.name '_dssp_struct_ladder.beg_1_label_comp_id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code ucode save_ save__dssp_struct_ladder.beg_1_label_asym_id _item.description ; A component of the identifier for the residue at which the first ladder segment begins. ; _item.name '_dssp_struct_ladder.beg_1_label_asym_id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code code save_ save__dssp_struct_ladder.beg_1_label_seq_id _item.description ; A component of the identifier for the residue at which the first ladder segment begins. ; _item.name '_dssp_struct_ladder.beg_1_label_seq_id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code int save_ save__dssp_struct_ladder.pdbx_beg_1_PDB_ins_code _item.description ; A component of the identifier for the residue at which the first ladder segment begins. ; _item.name '_dssp_struct_ladder.pdbx_beg_1_PDB_ins_code' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code code save_ save__dssp_struct_ladder.end_1_label_comp_id _item.description ; A component of the identifier for the residue at which the first ladder segment ends. ; _item.name '_dssp_struct_ladder.end_1_label_comp_id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code ucode save_ save__dssp_struct_ladder.end_1_label_asym_id _item.description ; A component of the identifier for the residue at which the first ladder segment ends. ; _item.name '_dssp_struct_ladder.end_1_label_asym_id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code code save_ save__dssp_struct_ladder.end_1_label_seq_id _item.description ; A component of the identifier for the residue at which the first ladder segment ends. ; _item.name '_dssp_struct_ladder.end_1_label_seq_id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code int save_ save__dssp_struct_ladder.pdbx_end_1_PDB_ins_code _item.description ; A component of the identifier for the residue at which the first ladder segment ends. ; _item.name '_dssp_struct_ladder.pdbx_end_1_PDB_ins_code' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code code save_ save__dssp_struct_ladder.beg_1_auth_comp_id _item.description ; A component of the identifier for the residue at which the first ladder segment begins. ; _item.name '_dssp_struct_ladder.beg_1_auth_comp_id' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code ucode save_ save__dssp_struct_ladder.beg_1_auth_asym_id _item.description ; A component of the identifier for the residue at which the first ladder segment begins. ; _item.name '_dssp_struct_ladder.beg_1_auth_asym_id' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code code save_ save__dssp_struct_ladder.beg_1_auth_seq_id _item.description ; A component of the identifier for the residue at which the first ladder segment begins. ; _item.name '_dssp_struct_ladder.beg_1_auth_seq_id' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code int save_ save__dssp_struct_ladder.end_1_auth_comp_id _item.description ; A component of the identifier for the residue at which the first ladder segment ends. ; _item.name '_dssp_struct_ladder.end_1_auth_comp_id' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code ucode save_ save__dssp_struct_ladder.end_1_auth_asym_id _item.description ; A component of the identifier for the residue at which the first ladder segment ends. ; _item.name '_dssp_struct_ladder.end_1_auth_asym_id' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code code save_ save__dssp_struct_ladder.end_1_auth_seq_id _item.description ; A component of the identifier for the residue at which the first ladder segment ends. ; _item.name '_dssp_struct_ladder.end_1_auth_seq_id' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code int save_ save__dssp_struct_ladder.beg_2_label_comp_id _item.description ; A component of the identifier for the residue at which the second ladder segment begins. ; _item.name '_dssp_struct_ladder.beg_2_label_comp_id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code ucode save_ save__dssp_struct_ladder.beg_2_label_asym_id _item.description ; A component of the identifier for the residue at which the second ladder segment begins. ; _item.name '_dssp_struct_ladder.beg_2_label_asym_id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code code save_ save__dssp_struct_ladder.beg_2_label_seq_id _item.description ; A component of the identifier for the residue at which the second ladder segment begins. ; _item.name '_dssp_struct_ladder.beg_2_label_seq_id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code int save_ save__dssp_struct_ladder.pdbx_beg_2_PDB_ins_code _item.description ; A component of the identifier for the residue at which the second ladder segment begins. ; _item.name '_dssp_struct_ladder.pdbx_beg_2_PDB_ins_code' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code code save_ save__dssp_struct_ladder.end_2_label_comp_id _item.description ; A component of the identifier for the residue at which the second ladder segment ends. ; _item.name '_dssp_struct_ladder.end_2_label_comp_id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code ucode save_ save__dssp_struct_ladder.end_2_label_asym_id _item.description ; A component of the identifier for the residue at which the second ladder segment ends. ; _item.name '_dssp_struct_ladder.end_2_label_asym_id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code code save_ save__dssp_struct_ladder.end_2_label_seq_id _item.description ; A component of the identifier for the residue at which the second ladder segment ends. ; _item.name '_dssp_struct_ladder.end_2_label_seq_id' _item.category_id dssp_struct_ladder _item.mandatory_code yes _item_type.code int save_ save__dssp_struct_ladder.pdbx_end_2_PDB_ins_code _item.description ; A component of the identifier for the residue at which the second ladder segment ends. ; _item.name '_dssp_struct_ladder.pdbx_end_2_PDB_ins_code' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code code save_ save__dssp_struct_ladder.beg_2_auth_comp_id _item.description ; A component of the identifier for the residue at which the second ladder segment begins. ; _item.name '_dssp_struct_ladder.beg_2_auth_comp_id' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code ucode save_ save__dssp_struct_ladder.beg_2_auth_asym_id _item.description ; A component of the identifier for the residue at which the second ladder segment begins. ; _item.name '_dssp_struct_ladder.beg_2_auth_asym_id' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code code save_ save__dssp_struct_ladder.beg_2_auth_seq_id _item.description ; A component of the identifier for the residue at which the second ladder segment begins. ; _item.name '_dssp_struct_ladder.beg_2_auth_seq_id' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code int save_ save__dssp_struct_ladder.end_2_auth_comp_id _item.description ; A component of the identifier for the residue at which the second ladder segment ends. ; _item.name '_dssp_struct_ladder.end_2_auth_comp_id' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code ucode save_ save__dssp_struct_ladder.end_2_auth_asym_id _item.description ; A component of the identifier for the residue at which the second ladder segment ends. ; _item.name '_dssp_struct_ladder.end_2_auth_asym_id' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code code save_ save__dssp_struct_ladder.end_2_auth_seq_id _item.description ; A component of the identifier for the residue at which the second ladder segment ends. ; _item.name '_dssp_struct_ladder.end_2_auth_seq_id' _item.category_id dssp_struct_ladder _item.mandatory_code no _item_type.code int save_ ######################################## ## Category dssp_statistics ## ######################################## save_dssp_statistics # _category.description 'dssp_statistics contains secondary structure statistics as calculated by DSSP.' _category.id dssp_statistics _category.mandatory_code no # _category_key.name '_dssp_statistics.entry_id' loop_ _category_group.id 'inclusive_group' 'struct_group' # loop_ _category_examples.detail _category_examples.case # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ; Example taken from 1cbs ; ; _dssp_statistics.entry_id 1CBS _dssp_statistics.nr_of_residues 137 _dssp_statistics.nr_of_chains 1 _dssp_statistics.nr_of_ss_bridges_total 0 _dssp_statistics.nr_of_ss_bridges_intra_chain 0 _dssp_statistics.nr_of_ss_bridges_inter_chain 0 _dssp_statistics.accessible_surface_of_protein 7905.01 ; save_ save__dssp_statistics.entry_id _item.description ; The entry ID for which these statistics are calculated. ; _item.name '_dssp_statistics.entry_id' _item.category_id dssp_statistics _item.mandatory_code yes _item_type.code code # _item_linked.child_name "_dssp_statistics.entry_id" _item_linked.parent_name "_entry.id" # save_ save__dssp_statistics.nr_of_residues _item.description ; The total number of residues to which secondary structure information was assigned. ; _item.name '_dssp_statistics.nr_of_residues' _item.category_id dssp_statistics _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics.nr_of_chains _item.description ; The number of chains used ; _item.name '_dssp_statistics.nr_of_chains' _item.category_id dssp_statistics _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics.nr_of_ss_bridges_total _item.description ; The number of sulfur-sulfur bridges assigned. ; _item.name '_dssp_statistics.nr_of_ss_bridges_total' _item.category_id dssp_statistics _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics.nr_of_ss_bridges_intra_chain _item.description ; The number of intra-chain sulfur-sulfur bridges assigned. ; _item.name '_dssp_statistics.nr_of_ss_bridges_intra_chain' _item.category_id dssp_statistics _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics.nr_of_ss_bridges_inter_chain _item.description ; The number of inter-chain sulfur-sulfur bridges assigned. ; _item.name '_dssp_statistics.nr_of_ss_bridges_inter_chain' _item.category_id dssp_statistics _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics.accessible_surface_of_protein _item.description ; The total accessible surface of the protein in square Angstroms. ; _item.name '_dssp_statistics.accessible_surface_of_protein' _item.category_id dssp_statistics _item.mandatory_code yes _item_type.code float save_ ######################################## ## Category dssp_statistics_hbond ## ######################################## save_dssp_statistics_hbond # _category.description 'dssp_statistics_hbond contains statistics for the collection of h-bond variants calculated by DSSP.' _category.id dssp_statistics_hbond _category.mandatory_code no # loop_ _category_key.name '_dssp_statistics_hbond.entry_id' '_dssp_statistics_hbond.type' loop_ _category_group.id 'inclusive_group' 'struct_group' # loop_ _category_examples.detail _category_examples.case # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ; Example taken from 1cbs ; ; _dssp_statistics_hbond.entry_id 1CBS _dssp_statistics_hbond.type O(I)-->H-N(J) _dssp_statistics_hbond.count 94 _dssp_statistics_hbond.count_per_100 68.6 ; save_ save__dssp_statistics_hbond.entry_id _item.description ; The entry ID for which these statistics are calculated. ; _item.name '_dssp_statistics_hbond.entry_id' _item.category dssp_statistics_hbond _item.mandatory_code yes _item_type.code code # _item_linked.child_name "_dssp_statistics_hbond.entry_id" _item_linked.parent_name "_entry.id" # save_ save__dssp_statistics_hbond.type _item.description ; The type of the h-bond ; _item.name '_dssp_statistics_hbond.type' _item.category dssp_statistics_hbond _item.mandatory_code yes _item_type.code text loop_ _item_enumeration.value _item_enumeration.detail O(I)-->H-N(J) 'non-bridge h-bond with residue further away than 5 residues' 'PARALLEL BRIDGES' 'h-bond forming a parallel bridge' 'ANTIPARALLEL BRIDGES' 'h-bond forming a anti-parallel bridge' O(I)-->H-N(I-5) 'h-bond with residue five residues before the current one' O(I)-->H-N(I-4) 'h-bond with residue four residues before the current one' O(I)-->H-N(I-3) 'h-bond with residue three residues before the current one' O(I)-->H-N(I-2) 'h-bond with residue two residues before the current one' O(I)-->H-N(I-1) 'h-bond with residue one residue before the current one' O(I)-->H-N(I+0) 'h-bond with current residue itself' O(I)-->H-N(I+1) 'h-bond with residue one residues after the current one' O(I)-->H-N(I+2) 'h-bond with residue two residues after the current one' O(I)-->H-N(I+3) 'h-bond with residue three residues after the current one' O(I)-->H-N(I+4) 'h-bond with residue four residues after the current one' O(I)-->H-N(I+5) 'h-bond with residue five residues after the current one' save_ save__dssp_statistics_hbond.count _item.description ; Absolute number of h-bonds of this type ; _item.name '_dssp_statistics_hbond.count' _item.category dssp_statistics_hbond _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_hbond.count_per_100 _item.description ; Number of h-bonds of this type per hundred residues in the entire structure ; _item.name '_dssp_statistics_hbond.count_per_100' _item.category dssp_statistics_hbond _item.mandatory_code yes _item_type.code float save_ ######################################## ## Category dssp_statistics_histogram ## ######################################## save_dssp_statistics_histogram # _category.description 'dssp_statistics_histogram contains the statistics for the ladders and helices in the form of a histogram as calculated by DSSP.' _category.id dssp_statistics_histogram _category.mandatory_code no # loop_ _category_key.name '_dssp_statistics_histogram.entry_id' '_dssp_statistics_histogram.type' loop_ _category_group.id 'inclusive_group' 'struct_group' # loop_ _category_examples.detail _category_examples.case # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ; Example taken from 1cbs ; ; _dssp_statistics_histogram.entry_id 1CBS _dssp_statistics_histogram.type antiparallel_bridges_per_ladder _dssp_statistics_histogram.1 0 _dssp_statistics_histogram.2 0 _dssp_statistics_histogram.3 1 _dssp_statistics_histogram.4 1 _dssp_statistics_histogram.5 1 _dssp_statistics_histogram.6 1 _dssp_statistics_histogram.7 4 _dssp_statistics_histogram.8 1 _dssp_statistics_histogram.9 0 _dssp_statistics_histogram.10 0 _dssp_statistics_histogram.11 0 _dssp_statistics_histogram.12 0 _dssp_statistics_histogram.13 0 _dssp_statistics_histogram.14 0 _dssp_statistics_histogram.15 0 _dssp_statistics_histogram.16 0 _dssp_statistics_histogram.17 0 _dssp_statistics_histogram.18 0 _dssp_statistics_histogram.19 0 _dssp_statistics_histogram.20 0 _dssp_statistics_histogram.21 0 _dssp_statistics_histogram.22 0 _dssp_statistics_histogram.23 0 _dssp_statistics_histogram.24 0 _dssp_statistics_histogram.25 0 _dssp_statistics_histogram.26 0 _dssp_statistics_histogram.27 0 _dssp_statistics_histogram.28 0 _dssp_statistics_histogram.29 0 _dssp_statistics_histogram.30 0 ; save_ save__dssp_statistics_histogram.entry_id _item.description ; The entry ID for which these statistics are calculated. ; _item.name '_dssp_statistics_histogram.entry_id' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code code # _item_linked.child_name "_dssp_statistics_histogram.entry_id" _item_linked.parent_name "_entry.id" # save_ save__dssp_statistics_histogram.type _item.description ; The type for which this histogram contains data ; _item.name '_dssp_statistics_histogram.type' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code code loop_ _item_enumeration.value _item_enumeration.detail residues_per_alpha_helix 'residues per alpha helix' parallel_bridges_per_ladder 'parallel bridges per ladder' antiparallel_bridges_per_ladder 'antiparallel bridges per ladder' ladders_per_sheet 'ladders per sheet' save_ save__dssp_statistics_histogram.1 _item.description ; The count of this type of ladder with a length of 1 residues ; _item.name '_dssp_statistics_histogram.1' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.2 _item.description ; The count of this type of ladder with a length of 2 residues ; _item.name '_dssp_statistics_histogram.2' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.3 _item.description ; The count of this type of ladder with a length of 3 residues ; _item.name '_dssp_statistics_histogram.3' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.4 _item.description ; The count of this type of ladder with a length of 4 residues ; _item.name '_dssp_statistics_histogram.4' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.5 _item.description ; The count of this type of ladder with a length of 5 residues ; _item.name '_dssp_statistics_histogram.5' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.6 _item.description ; The count of this type of ladder with a length of 6 residues ; _item.name '_dssp_statistics_histogram.6' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.7 _item.description ; The count of this type of ladder with a length of 7 residues ; _item.name '_dssp_statistics_histogram.7' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.8 _item.description ; The count of this type of ladder with a length of 8 residues ; _item.name '_dssp_statistics_histogram.8' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.9 _item.description ; The count of this type of ladder with a length of 9 residues ; _item.name '_dssp_statistics_histogram.9' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.10 _item.description ; The count of this type of ladder with a length of 10 residues ; _item.name '_dssp_statistics_histogram.10' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.11 _item.description ; The count of this type of ladder with a length of 11 residues ; _item.name '_dssp_statistics_histogram.11' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.12 _item.description ; The count of this type of ladder with a length of 12 residues ; _item.name '_dssp_statistics_histogram.12' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.13 _item.description ; The count of this type of ladder with a length of 13 residues ; _item.name '_dssp_statistics_histogram.13' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.14 _item.description ; The count of this type of ladder with a length of 14 residues ; _item.name '_dssp_statistics_histogram.14' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.15 _item.description ; The count of this type of ladder with a length of 15 residues ; _item.name '_dssp_statistics_histogram.15' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.16 _item.description ; The count of this type of ladder with a length of 16 residues ; _item.name '_dssp_statistics_histogram.16' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.17 _item.description ; The count of this type of ladder with a length of 17 residues ; _item.name '_dssp_statistics_histogram.17' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.18 _item.description ; The count of this type of ladder with a length of 18 residues ; _item.name '_dssp_statistics_histogram.18' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.19 _item.description ; The count of this type of ladder with a length of 19 residues ; _item.name '_dssp_statistics_histogram.19' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.20 _item.description ; The count of this type of ladder with a length of 20 residues ; _item.name '_dssp_statistics_histogram.20' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.21 _item.description ; The count of this type of ladder with a length of 21 residues ; _item.name '_dssp_statistics_histogram.21' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.22 _item.description ; The count of this type of ladder with a length of 22 residues ; _item.name '_dssp_statistics_histogram.22' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.23 _item.description ; The count of this type of ladder with a length of 23 residues ; _item.name '_dssp_statistics_histogram.23' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.24 _item.description ; The count of this type of ladder with a length of 24 residues ; _item.name '_dssp_statistics_histogram.24' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.25 _item.description ; The count of this type of ladder with a length of 25 residues ; _item.name '_dssp_statistics_histogram.25' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.26 _item.description ; The count of this type of ladder with a length of 26 residues ; _item.name '_dssp_statistics_histogram.26' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.27 _item.description ; The count of this type of ladder with a length of 27 residues ; _item.name '_dssp_statistics_histogram.27' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.28 _item.description ; The count of this type of ladder with a length of 28 residues ; _item.name '_dssp_statistics_histogram.28' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.29 _item.description ; The count of this type of ladder with a length of 29 residues ; _item.name '_dssp_statistics_histogram.29' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ save__dssp_statistics_histogram.30 _item.description ; The count of this type of ladder with a length of 30 or more residues ; _item.name '_dssp_statistics_histogram.30' _item.category dssp_statistics_histogram _item.mandatory_code yes _item_type.code int save_ ######################################## ## Category dssp_struct_summary ## ######################################## save_dssp_struct_summary # _category.description 'dssp_struct_summary contains the extra secondary structure information per residue as calculated by DSSP.' _category.id dssp_struct_summary _category.mandatory_code no # loop_ _category_key.name '_dssp_struct_summary.entry_id' '_dssp_struct_summary.label_asym_id' '_dssp_struct_summary.label_seq_id' '_dssp_struct_summary.label_comp_id' loop_ _category_group.id 'inclusive_group' 'struct_group' # loop_ _category_examples.detail _category_examples.case # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ; Example taken from 1cbs ; ; _dssp_struct_summary.entry_id 1CBS _dssp_struct_summary.label_comp_id PHE _dssp_struct_summary.label_asym_id A _dssp_struct_summary.label_seq_id 15 _dssp_struct_summary.secondary_structure H _dssp_struct_summary.ss_bridge . _dssp_struct_summary.helix_3_10 . _dssp_struct_summary.helix_alpha > _dssp_struct_summary.helix_pi . _dssp_struct_summary.helix_pp . _dssp_struct_summary.bend S _dssp_struct_summary.chirality + _dssp_struct_summary.sheet . _dssp_struct_summary.strand . _dssp_struct_summary.ladder_1 . _dssp_struct_summary.ladder_2 . _dssp_struct_summary.accessibility 23.1 _dssp_struct_summary.TCO 0.940 _dssp_struct_summary.kappa 73.9 _dssp_struct_summary.alpha 44.8 _dssp_struct_summary.phi -66.9 _dssp_struct_summary.psi -48.6 _dssp_struct_summary.x_ca 22.4 _dssp_struct_summary.y_ca 17.2 _dssp_struct_summary.z_ca 17.7 ; save_ save__dssp_struct_summary.entry_id _item.description ; The entry ID for which these statistics are calculated. ; _item.name '_dssp_struct_summary.entry_id' _item.category dssp_struct_summary _item.mandatory_code yes _item_type.code code # _item_linked.child_name "_dssp_struct_summary.entry_id" _item_linked.parent_name "_entry.id" # save_ save__dssp_struct_summary.label_comp_id _item.description ; A component of the identifier for this monomer. This data item is a pointer to _chem_comp.id in the CHEM_COMP category. ; _item.name '_dssp_struct_summary.label_comp_id' _item.category dssp_struct_summary _item.mandatory_code yes _item_type.code ucode save_ save__dssp_struct_summary.label_asym_id _item.description ; A component of the identifier for this monomer ; _item.name '_dssp_struct_summary.label_asym_id' _item.category dssp_struct_summary _item.mandatory_code yes _item_type.code code save_ save__dssp_struct_summary.label_seq_id _item.description ; A component of the identifier for this monomer ; _item.name '_dssp_struct_summary.label_seq_id' _item.category dssp_struct_summary _item.mandatory_code yes _item_type.code code save_ save__dssp_struct_summary.secondary_structure _item.description ; The secondary structure assigned to this residue in a single letter code The value for this field may be empty in which case the assigned secondary structure is Loop. ; _item.name '_dssp_struct_summary.secondary_structure' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code code loop_ _item_enumeration.value _item_enumeration.detail H Alphahelix B Betabridge E Strand G Helix_3 I Helix_5 P Helix_PPII T Turn S Bend save_ save__dssp_struct_summary.ss_bridge _item.description ; Identifier for the SS-Bridge formed by this residue ; _item.name '_dssp_struct_summary.ss_bridge' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code int save_ save__dssp_struct_summary.helix_3_10 _item.description ; In case this residue is a candidate to form a 3_10 helix, this field contains the position of the residue in the helix. ; _item.name '_dssp_struct_summary.helix_3_10' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code code loop_ _item_enumeration.value _item_enumeration.detail '>' 'The residue has h-bond(s) is a candidate to start a 3_10 helix' '3' 'The residue has h-bond(s) is a candidate to be within a 3_10 helix' '<' 'The residue has h-bond(s) is a candidate to end a 3_10 helix' 'X' 'The residue has h-bond(s) is a candidate for both a start and an end of a 3_10 helix' save_ save__dssp_struct_summary.helix_alpha _item.description ; In case this residue is a candidate to form a alpha helix, this field contains the position of the residue in the helix. ; _item.name '_dssp_struct_summary.helix_alpha' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code code loop_ _item_enumeration.value _item_enumeration.detail '>' 'The residue has h-bond(s) is a candidate to start a alpha helix' '4' 'The residue has h-bond(s) is a candidate to be within a alpha helix' '<' 'The residue has h-bond(s) is a candidate to end a alpha helix' 'X' 'The residue has h-bond(s) is a candidate for both a start and an end of a alpha helix' save_ save__dssp_struct_summary.helix_pi _item.description ; In case this residue is a candidate to form a pi helix, this field contains the position of the residue in the helix. ; _item.name '_dssp_struct_summary.helix_pi' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code code loop_ _item_enumeration.value _item_enumeration.detail '>' 'The residue has h-bond(s) is a candidate to start a pi helix' '5' 'The residue has h-bond(s) is a candidate to be within a pi helix' '<' 'The residue has h-bond(s) is a candidate to end a pi helix' 'X' 'The residue has h-bond(s) is a candidate for both a start and an end of a pi helix' save_ save__dssp_struct_summary.helix_pp _item.description ; In case this residue is a candidate to form a poly-proline helix, this field contains the position of the residue in the helix. ; _item.name '_dssp_struct_summary.helix_pp' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code code loop_ _item_enumeration.value _item_enumeration.detail '>' 'The residue has h-bond(s) is a candidate to start a poly-proline helix' 'P' 'The residue has h-bond(s) is a candidate to be within a poly-proline helix' '<' 'The residue has h-bond(s) is a candidate to end a poly-proline helix' 'X' 'The residue has h-bond(s) is a candidate for both a start and an end of a poly-proline helix' save_ save__dssp_struct_summary.bend _item.description ; If this field contains S this indicates that the assigned secondary structure Turn actually forms a Bend. ; _item.name '_dssp_struct_summary.bend' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code code _item_enumeration.value S _item_enumeration.detail 'The residue forms a Bend' save_ save__dssp_struct_summary.chirality _item.description ; The chirality for the virtual torsion angle (dihedral angle) defined by the four C-alpha atoms of residues I-1, I, I+1 and I+2. ; _item.name '_dssp_struct_summary.chirality' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code code loop_ _item_enumeration.value '+' '-' save_ save__dssp_struct_summary.sheet _item.description ; This data item is a pointer to _struct_sheet.id in the STRUCT_SHEET category. ; _item.name '_dssp_struct_summary.sheet' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code code save_ save__dssp_struct_summary.strand _item.description ; This data item is a pointer to _struct_sheet_range.id in the STRUCT_SHEET_RANGE category. ; _item.name '_dssp_struct_summary.strand' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code code save_ save__dssp_struct_summary.ladder_1 _item.description ; Label for the first beta bridge of which this residue is part. ; _item.name '_dssp_struct_summary.ladder_1' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code code save_ save__dssp_struct_summary.ladder_2 _item.description ; Label for the second beta bridge of which this residue is part. ; _item.name '_dssp_struct_summary.ladder_2' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code code save_ save__dssp_struct_summary.accessibility _item.description ; Solvent accessibility for this residue in square Angstroms ; _item.name '_dssp_struct_summary.accessibility' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code float save_ save__dssp_struct_summary.TCO _item.description ; The cosine of the angle between C=O of residue I and C=O of residue I-1. For alpha-helices, TCO is near +1, for Beta-sheets TCO is near -1. Not used for structure definition. ; _item.name '_dssp_struct_summary.TCO' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code float save_ save__dssp_struct_summary.kappa _item.description ; The virtual bond angle (bend angle) defined by the three C-alpha atoms of residues I-2, I and I+2. Used to define bend (structure code 'S'). ; _item.name '_dssp_struct_summary.kappa' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code float save_ save__dssp_struct_summary.alpha _item.description ; The virtual torsion angle (dihedral angle) defined by the four C-alpha atoms of residues I-1, I, I+1 and I+2. Used to define chirality (structure code '+' or '-'). ; _item.name '_dssp_struct_summary.alpha' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code float save_ save__dssp_struct_summary.phi _item.description ; IUPAC peptide backbone torsion phi angle ; _item.name '_dssp_struct_summary.phi' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code float save_ save__dssp_struct_summary.psi _item.description ; IUPAC peptide backbone torsion psi angle ; _item.name '_dssp_struct_summary.psi' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code float save_ save__dssp_struct_summary.x_ca _item.description ; The x coordinate of the C-alpha atom for this residue ; _item.name '_dssp_struct_summary.x_ca' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code float save_ save__dssp_struct_summary.y_ca _item.description ; The y coordinate of the C-alpha atom for this residue ; _item.name '_dssp_struct_summary.y_ca' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code float save_ save__dssp_struct_summary.z_ca _item.description ; The z coordinate of the C-alpha atom for this residue ; _item.name '_dssp_struct_summary.z_ca' _item.category dssp_struct_summary _item.mandatory_code no _item_type.code float save_