# 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 ;  0.0210 +-  0.0014
CDIH:   0.05 +-   0.22        ;                  <5 ;  0.7554 +-  0.0610
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   :   0.95 +-   0.13
Heavy atom RMSD :   1.70 +-   0.17


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 85.95 +- 2.44
Allowed regions            : 11.93 +- 2.27
Generously allowed regions : 1.43 +- 0.76
Disallowed regions         : 0.74 +- 0.63


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	-2.20 +- 0.19
2nd generation packing quality            :	-2.28 +- 0.24
Ramachandran plot appearance              :	-3.09 +- 0.32
chi-1/chi-2 rotamer normality             :	-1.36 +- 0.28
Backbone conformation                     :	-7.28 +- 1.50
Overall Quality (According to E.Krieger)  :	-32.74 +- 5.58
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.79 +- 0.02
Bond angles                               :	0.77 +- 0.02
Omega angle restraints                    :	0.66 +- 0.05
Side chain planarity                      :	0.58 +- 0.06
Improper dihedral distribution            :	5.30 +- 0.52
Inside/Outside distribution               :	1.13 +- 0.03
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        :	21.00 +- 2.81
Unsatisfied buried hydrogen acceptors     :	0.15 +- 0.37