# VALIDATION summary for ensemble refined_*.pdb # ############################################################# # Restraint violation averages; Acceptance criterium; RMSD: # ############################################################# NOE : 0.00 +- 0.00 ; <0.5 ; 0.0336 +- 0.0021 CDIH: 0.00 +- 0.00 ; <5 ; 0.4165 +- 0.1179 COUP: 0.00 +- 0.00 ; <1 ; 0.0000 +- 0.0000 SANI: 0.00 +- 0.00 ; <0 ; 0.0000 +- 0.0000 VEAN: 0.00 +- 0.00 ; <5 ; 0.0000 +- 0.0000 ########################################################### # Coordinate Root Mean Square Deviations of the ensemble: # ########################################################### Residue ZONES used for fitting the structures: ZONES: 15-43 RMSD's for specified zones: Backbone RMSD : 0.60 +- 0.18 Heavy atom RMSD : 1.55 +- 0.21 ####################################### # PROCHECK Ramachandran plot regions: # ####################################### Most favoured regions : 75.00 +- 3.72 Allowed regions : 18.92 +- 3.93 Generously allowed regions : 3.59 +- 1.92 Disallowed regions : 2.52 +- 1.79 Structure Z-scores, positive is better than average: 1st generation packing quality : -4.286 (poor) 2nd generation packing quality : -5.178 (bad) Ramachandran plot appearance : -4.849 (bad) chi-1/chi-2 rotamer normality : -1.327 Backbone conformation : -4.807 (bad) RMS Z-scores, should be close to 1.0: Bond lengths : 0.831 Bond angles : 0.768 Omega angle restraints : 0.686 (tight) Side chain planarity : 0.801 Improper dihedral distribution : 1.508 (loose) Inside/Outside distribution : 1.135