# VALIDATION summary for ensemble refined_*.pdb #


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

NOE :   0.00 +-   0.00        ;                <0.5 ;  0.0255 +-  0.0014
CDIH:   0.00 +-   0.00        ;                  <5 ;  0.5702 +-  0.0942
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   :   2.86 +-   0.49
Heavy atom RMSD :   3.68 +-   0.48


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

Most favoured regions      : 86.25 +- 2.08
Allowed regions            : 12.32 +- 3.16
Generously allowed regions : 1.14 +- 1.28
Disallowed regions         : 0.28 +- 0.49


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	-1.65 +- 0.21
2nd generation packing quality            :	-2.00 +- 0.26
Ramachandran plot appearance              :	-1.36 +- 0.52
chi-1/chi-2 rotamer normality             :	-1.04 +- 0.60
Backbone conformation                     :	-5.49 +- 0.83
Overall Quality (According to E.Krieger)  :	-23.40 +- 3.44
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.80 +- 0.03
Bond angles                               :	0.70 +- 0.02
Omega angle restraints                    :	0.67 +- 0.07
Side chain planarity                      :	0.64 +- 0.11
Improper dihedral distribution            :	4.79 +- 0.58
Inside/Outside distribution               :	1.09 +- 0.03
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        :	9.85 +- 2.64
Unsatisfied buried hydrogen acceptors     :	0.05 +- 0.22