# VALIDATION summary for ensemble analyzed_*.pdb #


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# Restraint violation averages; Acceptance criterium; RMSD: #
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NOE :   0.15 +-   0.37        ;                <0.5 ;  0.0247 +-  0.0032
CDIH:   0.05 +-   0.22        ;                  <5 ;  0.5080 +-  0.0902
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   :   4.75 +-   2.50
Heavy atom RMSD :   5.20 +-   2.40


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 87.08 +- 2.92
Allowed regions            : 11.45 +- 2.84
Generously allowed regions : 0.90 +- 0.65
Disallowed regions         : 0.59 +- 0.53


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	-2.35 +- 0.17
2nd generation packing quality            :	-2.41 +- 0.21
Ramachandran plot appearance              :	-3.00 +- 0.34
chi-1/chi-2 rotamer normality             :	-6.22 +- 0.31
Backbone conformation                     :	-7.03 +- 0.98
Overall Quality (According to E.Krieger)  :	-31.87 +- 3.77
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.50 +- 0.01
Bond angles                               :	0.96 +- 0.00
Omega angle restraints                    :	0.02 +- 0.01
Side chain planarity                      :	0.04 +- 0.00
Improper dihedral distribution            :	4.07 +- 0.01
Inside/Outside distribution               :	1.00 +- 0.01
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        :	11.60 +- 2.89
Unsatisfied buried hydrogen acceptors     :	1.45 +- 1.19