# VALIDATION summary for ensemble analyzed_*.pdb #


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# Restraint violation averages; Acceptance criterium; RMSD: #
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NOE :   0.20 +-   0.41        ;                <0.5 ;  0.0191 +-  0.0039
CDIH:   0.25 +-   0.55        ;                  <5 ;  0.7620 +-  0.1139
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:
16-126

RMSD's for specified zones:
Backbone RMSD   :   0.79 +-   0.14
Heavy atom RMSD :   1.53 +-   0.16


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 78.37 +- 2.47
Allowed regions            : 18.23 +- 2.75
Generously allowed regions : 3.04 +- 1.40
Disallowed regions         : 0.38 +- 0.51


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	-4.05 +- 0.16
2nd generation packing quality            :	-3.03 +- 0.19
Ramachandran plot appearance              :	-4.34 +- 0.25
chi-1/chi-2 rotamer normality             :	-5.85 +- 0.24
Backbone conformation                     :	-8.06 +- 1.63
Overall Quality (According to E.Krieger)  :	-39.06 +- 5.86
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.15 +- 0.00
Bond angles                               :	0.41 +- 0.00
Omega angle restraints                    :	0.02 +- 0.01
Side chain planarity                      :	0.04 +- 0.00
Improper dihedral distribution            :	0.88 +- 0.01
Inside/Outside distribution               :	1.13 +- 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        :	24.35 +- 3.20
Unsatisfied buried hydrogen acceptors     :	0.70 +- 0.57