# VALIDATION summary for ensemble refined_*.pdb #


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# Restraint violation averages; Acceptance criterium; RMSD: #
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NOE :   0.00 +-   0.00        ;                <0.5 ;  0.0168 +-  0.0012
CDIH:   0.00 +-   0.00        ;                  <5 ;  0.6801 +-  0.1188
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


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# Coordinate Root Mean Square Deviations of the ensemble: #
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Residue ZONES used for fitting the structures:
ZONES:
*

RMSD's for specified zones:
Backbone RMSD   :   2.23 +-   0.48
Heavy atom RMSD :   2.84 +-   0.37


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 87.07 +- 1.75
Allowed regions            : 11.42 +- 1.49
Generously allowed regions : 1.25 +- 0.93
Disallowed regions         : 0.23 +- 0.46


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	-1.42 +- 0.35
2nd generation packing quality            :	-2.32 +- 0.27
Ramachandran plot appearance              :	-1.24 +- 0.49
chi-1/chi-2 rotamer normality             :	-0.99 +- 0.61
Backbone conformation                     :	-7.00 +- 1.57
Overall Quality (According to E.Krieger)  :	-28.52 +- 6.26
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.78 +- 0.02
Bond angles                               :	0.70 +- 0.04
Omega angle restraints                    :	0.76 +- 0.05
Side chain planarity                      :	0.53 +- 0.08
Improper dihedral distribution            :	4.86 +- 0.57
Inside/Outside distribution               :	1.11 +- 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        :	11.26 +- 2.77
Unsatisfied buried hydrogen acceptors     :	0.58 +- 0.61