# VALIDATION summary for ensemble refined_*.pdb #


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# Restraint violation averages; Acceptance criterium; RMSD: #
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NOE :   1.00 +-   0.00        ;                <0.5 ;  0.0335 +-  0.0007
CDIH:   0.15 +-   0.49        ;                  <5 ;  0.6224 +-  0.1021
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   :   4.49 +-   1.56
Heavy atom RMSD :   4.94 +-   1.46


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# PROCHECK Ramachandran plot regions: #
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Most favoured regions      : 88.73 +- 2.62
Allowed regions            : 10.61 +- 2.43
Generously allowed regions : 0.45 +- 0.74
Disallowed regions         : 0.23 +- 0.40


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

Structure Z-scores, positive is better than average
1st generation packing quality            :	0.03 +- 0.24
2nd generation packing quality            :	-0.87 +- 0.20
Ramachandran plot appearance              :	-1.23 +- 0.44
chi-1/chi-2 rotamer normality             :	-0.06 +- 0.53
Backbone conformation                     :	-6.09 +- 1.35
Overall Quality (According to E.Krieger)  :	-23.73 +- 5.10
RMS Z-scores, should be close to 1.0:
Bond lengths                              :	0.76 +- 0.02
Bond angles                               :	0.72 +- 0.02
Omega angle restraints                    :	0.56 +- 0.04
Side chain planarity                      :	0.55 +- 0.09
Improper dihedral distribution            :	4.00 +- 0.23
Inside/Outside distribution               :	1.00 +- 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        :	7.75 +- 1.94
Unsatisfied buried hydrogen acceptors     :	1.10 +- 0.97