# VALIDATION summary for ensemble analyzed_*.pdb #


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# Restraint violation averages; Acceptance criterium; RMSD: #
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NOE :   0.20 +-   0.41        ;                <0.5 ;  0.0261 +-  0.0026
CDIH:   0.25 +-   0.44        ;                  <5 ;  0.5668 +-  0.1191
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   :   4.44 +-   1.85
Heavy atom RMSD :   4.88 +-   1.74


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 86.23 +- 2.36
Allowed regions            : 12.09 +- 2.00
Generously allowed regions : 0.86 +- 0.99
Disallowed regions         : 0.85 +- 1.02


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	-2.38 +- 0.19
2nd generation packing quality            :	-2.39 +- 0.21
Ramachandran plot appearance              :	-3.10 +- 0.46
chi-1/chi-2 rotamer normality             :	-6.13 +- 0.24
Backbone conformation                     :	-6.65 +- 1.08
Overall Quality (According to E.Krieger)  :	-30.66 +- 3.96
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.50 +- 0.01
Bond angles                               :	0.96 +- 0.00
Omega angle restraints                    :	0.02 +- 0.01
Side chain planarity                      :	0.04 +- 0.00
Improper dihedral distribution            :	4.07 +- 0.01
Inside/Outside distribution               :	1.00 +- 0.01
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        :	12.20 +- 2.26
Unsatisfied buried hydrogen acceptors     :	1.10 +- 0.91