 
****** Ligand validation details (X77 A 401) ******
 
                                    Before  Final
Real-space R-factor               : 0.055   0.058
Real-space correlation            : 0.961   0.955
EDIAm density fit                 : 0.891   0.893
OPIA density coverage (%)         : 85.3    91.2
 
Energy of formation (kJ/mol)      : 1029.992 1227.737
Hydrogen bond energy (kJ/mol)     : -44.18  -45.15
Number of hydrogen bonds          : 2  2
Number of bumps                   : 2  2
Number of hydrophobic interactions: 28  28
Hydrophobic interaction strength  : 22.993  24.607
Number of Pi-Pi interactions      : 5  6
Pi-Pi interaction strength        : 5.194  6.375
Number of cation-Pi interactions  : 0  0
Cation-Pi interaction strength    : 0.000  0.000
 
Atoms shifted more than 0.50A     : 0
All atom RMSD for residue (A)     : 0.1236
 
