# 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 ;  0.0207 +-  0.0011
CDIH:   0.20 +-   0.62        ;                  <5 ;  0.7656 +-  0.1307
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   :   0.96 +-   0.18
Heavy atom RMSD :   1.66 +-   0.18


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 84.84 +- 2.02
Allowed regions            : 12.55 +- 1.91
Generously allowed regions : 1.91 +- 0.64
Disallowed regions         : 0.73 +- 0.73


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	-2.16 +- 0.17
2nd generation packing quality            :	-2.31 +- 0.19
Ramachandran plot appearance              :	-3.14 +- 0.47
chi-1/chi-2 rotamer normality             :	-1.20 +- 0.44
Backbone conformation                     :	-8.22 +- 1.85
Overall Quality (According to E.Krieger)  :	-36.20 +- 6.78
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.77 +- 0.02
Bond angles                               :	0.76 +- 0.02
Omega angle restraints                    :	0.68 +- 0.04
Side chain planarity                      :	0.63 +- 0.09
Improper dihedral distribution            :	5.26 +- 0.74
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        :	19.90 +- 3.58
Unsatisfied buried hydrogen acceptors     :	0.25 +- 0.44