# 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 ;  0.0195 +-  0.0015
CDIH:   0.20 +-   0.52        ;                  <5 ;  0.7977 +-  0.1103
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   :   2.29 +-   0.48
Heavy atom RMSD :   2.97 +-   0.39


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 85.85 +- 2.10
Allowed regions            : 12.22 +- 2.14
Generously allowed regions : 0.44 +- 0.67
Disallowed regions         : 1.46 +- 0.56


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	-1.41 +- 0.41
2nd generation packing quality            :	-2.58 +- 0.40
Ramachandran plot appearance              :	-1.78 +- 0.64
chi-1/chi-2 rotamer normality             :	-0.37 +- 0.93
Backbone conformation                     :	-7.85 +- 1.70
Overall Quality (According to E.Krieger)  :	-32.32 +- 6.61
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.77 +- 0.02
Bond angles                               :	0.69 +- 0.04
Omega angle restraints                    :	0.74 +- 0.07
Side chain planarity                      :	0.55 +- 0.08
Improper dihedral distribution            :	4.86 +- 0.47
Inside/Outside distribution               :	1.10 +- 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        :	12.15 +- 3.45
Unsatisfied buried hydrogen acceptors     :	0.45 +- 0.69