# 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 ;  0.0221 +-  0.0019
CDIH:   0.00 +-   0.00        ;                  <5 ;  0.6039 +-  0.0831
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   :   2.87 +-   0.51
Heavy atom RMSD :   3.66 +-   0.50


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 86.36 +- 2.47
Allowed regions            : 11.67 +- 2.04
Generously allowed regions : 1.12 +- 1.22
Disallowed regions         : 0.83 +- 1.09


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	-1.53 +- 0.27
2nd generation packing quality            :	-2.11 +- 0.24
Ramachandran plot appearance              :	-1.41 +- 0.43
chi-1/chi-2 rotamer normality             :	-0.78 +- 0.83
Backbone conformation                     :	-5.64 +- 1.75
Overall Quality (According to E.Krieger)  :	-23.91 +- 6.40
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.80 +- 0.02
Bond angles                               :	0.71 +- 0.04
Omega angle restraints                    :	0.65 +- 0.07
Side chain planarity                      :	0.68 +- 0.11
Improper dihedral distribution            :	5.10 +- 1.06
Inside/Outside distribution               :	1.09 +- 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        :	9.20 +- 2.73
Unsatisfied buried hydrogen acceptors     :	0.20 +- 0.41