# 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 ;  0.0192 +-  0.0012
CDIH:   0.00 +-   0.00        ;                  <5 ;  0.4640 +-  0.0720
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   :   2.42 +-   0.66
Heavy atom RMSD :   2.52 +-   0.47


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 93.45 +- 1.51
Allowed regions            : 6.05 +- 1.46
Generously allowed regions : 0.35 +- 0.41
Disallowed regions         : 0.17 +- 0.37


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	-1.13 +- 0.16
2nd generation packing quality            :	-0.97 +- 0.20
Ramachandran plot appearance              :	-1.72 +- 0.30
chi-1/chi-2 rotamer normality             :	0.04 +- 0.48
Backbone conformation                     :	-3.45 +- 0.49
Overall Quality (According to E.Krieger)  :	-15.92 +- 1.96
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.67 +- 0.02
Bond angles                               :	0.71 +- 0.02
Omega angle restraints                    :	0.53 +- 0.03
Side chain planarity                      :	0.75 +- 0.06
Improper dihedral distribution            :	6.97 +- 0.60
Inside/Outside distribution               :	0.98 +- 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        :	15.45 +- 3.59
Unsatisfied buried hydrogen acceptors     :	1.10 +- 0.97