# VALIDATION summary for ensemble analyzed_*.pdb # ############################################################# # Restraint violation averages; Acceptance criterium; RMSD: # ############################################################# NOE : 0.00 +- 0.00 ; <0.5 ; 0.0187 +- 0.0026 CDIH: 0.00 +- 0.00 ; <5 ; 0.3135 +- 0.1271 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 : 0.46 +- 0.12 Heavy atom RMSD : 1.36 +- 0.19 ####################################### # PROCHECK Ramachandran plot regions: # ####################################### Most favoured regions : 63.22 +- 3.00 Allowed regions : 27.33 +- 2.97 Generously allowed regions : 6.70 +- 3.91 Disallowed regions : 2.77 +- 2.92 Structure Z-scores, positive is better than average: 1st generation packing quality : -5.553 (poor) 2nd generation packing quality : -6.781 (bad) Ramachandran plot appearance : -6.551 (bad) chi-1/chi-2 rotamer normality : -5.676 (bad) Backbone conformation : -6.075 (bad) RMS Z-scores, should be close to 1.0: Bond lengths : 0.517 (tight) Bond angles : 0.902 Omega angle restraints : 0.000 (tight) Side chain planarity : 0.040 (tight) Improper dihedral distribution : 0.879 Inside/Outside distribution : 1.117