QualityChecks summary:



Temporary directory:
  /data/wr222/scratch/aria_temp.tmpSecp_H1166095079/TEMP_1166106647.37036232678483

Working directory:
  /home/wr222/projects/aria2.1/examples/werner/run1/structures/refine

The following files have been analysed:
  hrdc_10_water.pdb
  hrdc_12_water.pdb
  hrdc_15_water.pdb
  hrdc_18_water.pdb
  hrdc_1_water.pdb
  hrdc_4_water.pdb
  hrdc_5_water.pdb
  hrdc_6_water.pdb
  hrdc_7_water.pdb
  hrdc_9_water.pdb


                                                       value     error       min       max
PROCHECK:
most favoured regions                                   75.4      3.67      69.1      81.5
allowed regions                                         19.4      4.43      13.6      29.6
generously allowed regions                              2.95      1.76         0       4.9
disallowed regions                                      2.22     0.992       1.2       3.7
labelled residues (all Ramachandrans)                    9.3      3.06         5        14
labelled residues (Chi1-chi2 plots)                      3.4      1.84         1         6
bad contacts                                             0.5     0.527         0         1
G-factor dihedrals                                    -0.449    0.0603     -0.54     -0.35
G-factor covalent                                      0.548     0.023      0.51      0.57
G-factor overall                                       -0.07    0.0445     -0.13         0

WHATCHECK:
1st generation packing quality Z-score (QUACHK)        -2.83     0.314     -3.52      -2.5
2nd generation packing quality Z-score (NQACHK)        -2.91       0.5     -3.82     -2.01
Ramachandran plot appearance Z-score (RAMCHK)          -4.38      0.46     -5.33     -3.63
Chi-1 chi-2 rotamer normality Z-score (C12CHK)          -2.8     0.421     -3.44     -2.27
Backbone conformation Z-score (BBCCHK)                 -4.17      1.05     -5.98     -2.85
Bond lengths RMS Z-score (BNDCHK)                      0.362    0.0198      0.34     0.404
Bond angles RMS Z-score (ANGCHK)                       0.673    0.0203     0.638       0.7
Omega angle restraints RMS Z-score (OMECHK)             1.01     0.097      0.87      1.16
Side chain planarity RMS Z-score (PLNCHK)              0.403    0.0397      0.32     0.461
Improper dihedral distribution RMS Z-score (HNDCHK)    0.445    0.0158     0.421     0.468
Inside/outside distribution RMS Z-score (INOCHK)        1.04   0.00734      1.03      1.05
Inter-atomic bumps (BMPCHK)                             31.5      5.02        22        40
Unsatisfied hydrogen donors (BH2CHK)                     9.5      2.01         6        13
Unsatisfied hydrogen acceptors (BA2CHK)                  0.1     0.316         0         1



