# VALIDATION summary for ensemble analyzed_*.pdb #


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# Restraint violation averages; Acceptance criterium; RMSD: #
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NOE :   0.05 +-   0.22        ;                <0.5 ;  0.0234 +-  0.0019
CDIH:   0.55 +-   0.60        ;                  <5 ;  0.8025 +-  0.0616
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   :   2.15 +-   0.53
Heavy atom RMSD :   2.80 +-   0.43


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 82.97 +- 2.37
Allowed regions            : 13.35 +- 2.94
Generously allowed regions : 3.17 +- 1.41
Disallowed regions         : 0.49 +- 0.56


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# WHATCHECK analysis: #
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Structure Z-scores, positive is better than average
1st generation packing quality            :	-3.64 +- 0.20
2nd generation packing quality            :	-3.56 +- 0.21
Ramachandran plot appearance              :	-2.31 +- 0.37
chi-1/chi-2 rotamer normality             :	-5.85 +- 0.37
Backbone conformation                     :	-7.90 +- 1.21
Overall Quality (According to E.Krieger)  :	-35.40 +- 4.50
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.54 +- 0.00
Bond angles                               :	0.91 +- 0.00
Omega angle restraints                    :	0.02 +- 0.01
Side chain planarity                      :	0.02 +- 0.00
Improper dihedral distribution            :	3.74 +- 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        :	18.35 +- 3.01
Unsatisfied buried hydrogen acceptors     :	0.90 +- 0.72