## Report for iteration 8
## 
## Created by ARIA 2.2, Mon Jul  2 16:52:47 2007
##
## Author:  bardiaux
## Date:    Mon Jun 11 11:24:38 2007
## Project: tudor
## Run:     1
## Path:    /home/Bis/bardiaux/EMBO/course/run1
##
## Restraints:
##
## Used during calculation: 1300
## Violated:                51 (3.9)
## Merged:                  491
##
## -----------------------------------------------------------------
##
## Spectrum:                   13C_NOESY
## Calibration factor:         8.401505e+06
##
## Restraints:
##
## Used during calculation: 902
## Violated:                44 (4.9%)
##
## Unambiguous restraints: 711
## Violated:               37 (5.2%)
##
## Ambiguous restraints:   191
## Violated:               7 (3.7%)
## Contribution histogram: 2:    167
##                         3:    15
##                         4:    7
##                         5:    1
##                         6-10: 1
##                         >10:  0
## -----------------------------------------------------------------
##
## Spectrum:                   15N_NOESY
## Calibration factor:         7.041180e+06
##
## Restraints:
##
## Used during calculation: 398
## Violated:                7 (1.8%)
##
## Unambiguous restraints: 363
## Violated:               5 (1.4%)
##
## Ambiguous restraints:   35
## Violated:               2 (5.7%)
## Contribution histogram: 2:    33
##                         3:    2
##                         4:    0
##                         5:    0
##                         6-10: 0
##                         >10:  0
## -----------------------------------------------------------------
##


Summary for quality checks:
---------------------------
Created: Mon Jul  2 16:59:37 2007

Temporary directory:
  /Bis/scratch2/bardiaux/aria_temp.tmpJ3KCmf1183387760/TEMP_1183388123.46758345655641

Working directory:
  /home/Bis/bardiaux/EMBO/course/run1/structures/it8

The following files have been analysed:
  tudor_8.pdb
  tudor_13.pdb
  tudor_16.pdb
  tudor_1.pdb
  tudor_11.pdb
  tudor_15.pdb
  tudor_6.pdb


                                                       value     error       min       max
PROCHECK:
most favoured regions                                   69.7      5.08      62.5      77.1
allowed regions                                         27.1      5.38      20.8      35.4
generously allowed regions                               2.7      1.02       2.1       4.2
disallowed regions                                       0.6      1.02         0       2.1
labelled residues (all Ramachandrans)                   7.86      0.69         7         9
labelled residues (Chi1-chi2 plots)                     1.71      1.11         0         3
bad contacts                                            2.14      0.69         1         3
G-factor dihedrals                                    -0.254    0.0346      -0.3     -0.19
G-factor covalent                                      0.607   0.00756       0.6      0.62
G-factor overall                                      0.0871    0.0229      0.06      0.13

WHATCHECK:
1st generation packing quality Z-score (QUACHK)        -1.58     0.212     -1.85     -1.34
2nd generation packing quality Z-score (NQACHK)        -1.74     0.389      -2.2     -1.11
Ramachandran plot appearance Z-score (RAMCHK)          -5.08     0.426      -5.8     -4.53
Chi-1 chi-2 rotamer normality Z-score (C12CHK)         -3.45     0.163     -3.65     -3.21
Backbone conformation Z-score (BBCCHK)                 -1.89      0.75     -3.21     -1.14
Bond lengths RMS Z-score (BNDCHK)                       0.27    0.0145     0.243     0.285
Bond angles RMS Z-score (ANGCHK)                       0.394    0.0102      0.38     0.411
Omega angle restraints RMS Z-score (OMECHK)            0.217   0.00616     0.207     0.226
Side chain planarity RMS Z-score (PLNCHK)             0.0704    0.0084     0.063     0.085
Improper dihedral distribution RMS Z-score (HNDCHK)    0.443    0.0131     0.423     0.462
Inside/outside distribution RMS Z-score (INOCHK)        1.03    0.0286     0.991      1.07
Inter-atomic bumps (BMPCHK)                             20.9      2.19        18        24
Unsatisfied hydrogen donors (BH2CHK)                       0         0         0         0
Unsatisfied hydrogen acceptors (BA2CHK)                    0         0         0         0