# VALIDATION summary for ensemble refined_*.pdb #


#############################################################
# Restraint violation averages; Acceptance criterium; RMSD: #
#############################################################

NOE :   0.00 +-   0.00        ;                <0.5 ;  0.0276 +-  0.0010
CDIH:   0.15 +-   0.37        ;                  <5 ;  0.6611 +-  0.0849
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:
*

RMSD's for specified zones:
Backbone RMSD   :   4.36 +-   1.63
Heavy atom RMSD :   4.85 +-   1.54


#######################################
# PROCHECK Ramachandran plot regions: #
#######################################

Most favoured regions      : 89.16 +- 2.16
Allowed regions            : 10.31 +- 1.95
Generously allowed regions : 0.32 +- 0.60
Disallowed regions         : 0.23 +- 0.40


#######################
# WHATCHECK analysis: #
#######################

Structure Z-scores, positive is better than average
1st generation packing quality            :	0.03 +- 0.19
2nd generation packing quality            :	-0.94 +- 0.20
Ramachandran plot appearance              :	-1.29 +- 0.39
chi-1/chi-2 rotamer normality             :	-0.17 +- 0.52
Backbone conformation                     :	-5.80 +- 0.90
Overall Quality (According to E.Krieger)  :	-22.76 +- 3.50
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.76 +- 0.01
Bond angles                               :	0.72 +- 0.02
Omega angle restraints                    :	0.56 +- 0.04
Side chain planarity                      :	0.53 +- 0.06
Improper dihedral distribution            :	4.03 +- 0.28
Inside/Outside distribution               :	1.00 +- 0.02
Counts:
Average number of bumps                   :	0.00 +- 0.00
Average sum of bumps                      :	0.00 +- 0.00
Number of bumps per 100 residues          :	0.00 +- 0.00
Unsatisfied buried hydrogen donors        :	9.10 +- 1.48
Unsatisfied buried hydrogen acceptors     :	0.90 +- 0.97