# VALIDATION summary for ensemble analyzed_*.pdb #


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

NOE :   0.35 +-   0.49        ;                <0.5 ;  0.0196 +-  0.0065
CDIH:   0.05 +-   0.22        ;                  <5 ;  0.3888 +-  0.1797
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   :   1.20 +-   0.35
Heavy atom RMSD :   1.97 +-   0.34


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

Most favoured regions      : 80.17 +- 2.49
Allowed regions            : 16.38 +- 2.33
Generously allowed regions : 3.12 +- 1.42
Disallowed regions         : 0.33 +- 0.58


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	-1.71 +- 0.26
2nd generation packing quality            :	-2.58 +- 0.23
Ramachandran plot appearance              :	-2.51 +- 0.37
chi-1/chi-2 rotamer normality             :	-6.58 +- 0.27
Backbone conformation                     :	-4.41 +- 0.75
Overall Quality (According to E.Krieger)  :	-21.07 +- 2.91
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.41 +- 0.00
Bond angles                               :	0.94 +- 0.00
Omega angle restraints                    :	0.02 +- 0.01
Side chain planarity                      :	0.03 +- 0.00
Improper dihedral distribution            :	4.43 +- 0.01
Inside/Outside distribution               :	1.08 +- 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        :	16.50 +- 3.25
Unsatisfied buried hydrogen acceptors     :	1.40 +- 0.68