 
****** Ligand validation details (CIT A 303) ******
 
                                    Before  Final
Real-space R-factor               : 0.061   0.038
Real-space correlation            : 0.960   0.977
EDIAm density fit                 : 1.024   1.049
OPIA density coverage (%)         : 100.0    100.0
 
Energy of formation (kJ/mol)      : -2520.215 -2501.977
Hydrogen bond energy (kJ/mol)     : -25.9  -31.15
Number of hydrogen bonds          : 2  2
Number of bumps                   : 2  2
Number of hydrophobic interactions: 0  1
Hydrophobic interaction strength  : 0.000  0.192
Number of Pi-Pi interactions      : 0  0
Pi-Pi interaction strength        : 0.000  0.000
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)     : 0.1574
 
