# 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 ;  0.0190 +-  0.0014
CDIH:   0.00 +-   0.00        ;                  <5 ;  0.7070 +-  0.0918
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   :   2.28 +-   0.49
Heavy atom RMSD :   2.88 +-   0.38


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 86.77 +- 2.25
Allowed regions            : 12.00 +- 2.31
Generously allowed regions : 0.95 +- 0.85
Disallowed regions         : 0.28 +- 0.62


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	-1.29 +- 0.34
2nd generation packing quality            :	-2.12 +- 0.28
Ramachandran plot appearance              :	-1.48 +- 0.45
chi-1/chi-2 rotamer normality             :	-0.74 +- 0.63
Backbone conformation                     :	-7.44 +- 1.85
Overall Quality (According to E.Krieger)  :	-30.31 +- 7.13
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.78 +- 0.03
Bond angles                               :	0.70 +- 0.03
Omega angle restraints                    :	0.76 +- 0.07
Side chain planarity                      :	0.53 +- 0.06
Improper dihedral distribution            :	4.72 +- 0.43
Inside/Outside distribution               :	1.11 +- 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        :	11.90 +- 2.81
Unsatisfied buried hydrogen acceptors     :	0.40 +- 0.60