# VALIDATION summary for ensemble analyzed_*.pdb #


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# Restraint violation averages; Acceptance criterium; RMSD: #
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NOE :   0.50 +-   0.61        ;                <0.5 ;  0.0243 +-  0.0048
CDIH:   0.35 +-   0.59        ;                  <5 ;  0.7912 +-  0.0804
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 +-   0.13
Heavy atom RMSD :   1.57 +-   0.16


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 78.43 +- 3.09
Allowed regions            : 18.89 +- 3.04
Generously allowed regions : 2.39 +- 1.00
Disallowed regions         : 0.31 +- 0.51


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# WHATCHECK analysis: #
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Structure Z-scores, positive is better than average
1st generation packing quality            :	-4.15 +- 0.19
2nd generation packing quality            :	-2.83 +- 0.20
Ramachandran plot appearance              :	-4.45 +- 0.25
chi-1/chi-2 rotamer normality             :	-5.71 +- 0.17
Backbone conformation                     :	-7.90 +- 1.58
Overall Quality (According to E.Krieger)  :	-38.72 +- 5.85
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               :	1.12 +- 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        :	22.75 +- 3.81
Unsatisfied buried hydrogen acceptors     :	0.55 +- 0.89