# 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 ;  0.0214 +-  0.0016
CDIH:   0.00 +-   0.00        ;                  <5 ;  0.6414 +-  0.1107
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   :   1.49 +-   0.34
Heavy atom RMSD :   2.20 +-   0.34


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 89.67 +- 2.58
Allowed regions            : 8.19 +- 2.60
Generously allowed regions : 1.69 +- 0.85
Disallowed regions         : 0.45 +- 0.76


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	-0.39 +- 0.27
2nd generation packing quality            :	-1.27 +- 0.23
Ramachandran plot appearance              :	-0.66 +- 0.39
chi-1/chi-2 rotamer normality             :	-1.54 +- 0.74
Backbone conformation                     :	-3.83 +- 0.83
Overall Quality (According to E.Krieger)  :	-15.22 +- 3.20
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.85 +- 0.03
Bond angles                               :	0.69 +- 0.03
Omega angle restraints                    :	0.66 +- 0.06
Side chain planarity                      :	0.65 +- 0.10
Improper dihedral distribution            :	4.52 +- 0.62
Inside/Outside distribution               :	1.08 +- 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        :	11.10 +- 2.71
Unsatisfied buried hydrogen acceptors     :	1.20 +- 0.70