## Report for iteration 8
## 
## Created by ARIA 2.3.2, Wed Jul 15 15:10:42 2015
##
## Author:  
## Date:    
## Project: tudor
## Run:     2
## Path:    /Bis/home/bardiaux/EMBO/2015/example/run2
##
## Restraints:
##
## Used during calculation: 1165
## Violated:                29 (2.5)
## Merged:                  522
##
## -----------------------------------------------------------------
##
## Spectrum:                   15N
## Calibration factor:         8.620442e+06
##
## Restraints:
##
## Used during calculation: 381
## Violated:                1 (0.3%)
##
## Unambiguous restraints: 354
## Violated:               1 (0.3%)
##
## Ambiguous restraints:   27
## Violated:               0 (0.0%)
## Contribution histogram: 2:    25
##                         3:    2
##                         4:    0
##                         5:    0
##                         6-10: 0
##                         >10:  0
## -----------------------------------------------------------------
##
## Spectrum:                   13C
## Calibration factor:         7.423378e+06
##
## Restraints:
##
## Used during calculation: 784
## Violated:                28 (3.6%)
##
## Unambiguous restraints: 670
## Violated:               26 (3.9%)
##
## Ambiguous restraints:   114
## Violated:               2 (1.8%)
## Contribution histogram: 2:    107
##                         3:    7
##                         4:    0
##                         5:    0
##                         6-10: 0
##                         >10:  0
## -----------------------------------------------------------------
##
##

## Ensemble RMSD (7 structures)
## All residues
## Backbone (N,CA,C,O) : 0.48 +/- 0.16 A
## Heavy atoms         : 0.98 +/- 0.15 A
##
## Ordered residues : A15:49,A52:65
## Backbone (N,CA,C,O) : 0.26 +/- 0.08 A
## Heavy atoms         : 0.72 +/- 0.06 A
## -----------------------------------------------------------------


Summary for quality checks:
---------------------------
Created: Wed Jul 15 15:25:00 2015

Temporary directory:
  /Bis/home/bardiaux/EMBO/2015/example/aria_temp.tmpWZLW0m1436964962/TEMP_1436966352.59989130462123

Working directory:
  /Bis/home/bardiaux/EMBO/2015/example/run2/structures/it8

The following files have been analysed:
  tudor_1.pdb
  tudor_18.pdb
  tudor_13.pdb
  tudor_16.pdb
  tudor_14.pdb
  tudor_12.pdb
  tudor_17.pdb


                                                       value     error       min       max
PROCHECK:
most favoured regions                                   88.4      2.38      85.4      91.7
allowed regions                                         10.7      1.89       8.3      14.6
generously allowed regions                               0.3     0.794         0       2.1
disallowed regions                                       0.6      1.02         0       2.1
labelled residues (all Ramachandrans)                  0.714     0.951         0         2
labelled residues (Chi1-chi2 plots)                    0.143     0.378         0         1
bad contacts                                           0.714     0.951         0         2
G-factor dihedrals                                   -0.0743    0.0399     -0.11         0
G-factor covalent                                       0.41      0.02      0.39      0.45
G-factor overall                                       0.131    0.0267      0.11      0.18

WHATCHECK:
1st generation packing quality Z-score (QUACHK)        -1.21      0.18     -1.42    -0.972
2nd generation packing quality Z-score (NQACHK)        -1.34     0.212     -1.69     -1.07
Ramachandran plot appearance Z-score (RAMCHK)          -3.09     0.459     -3.57     -2.37
Chi-1 chi-2 rotamer normality Z-score (C12CHK)         0.196     0.675    -0.287      1.65
Backbone conformation Z-score (BBCCHK)                 -1.39     0.194     -1.68     -1.09
Bond lengths RMS Z-score (BNDCHK)                      0.149   0.00215     0.146     0.152
Bond angles RMS Z-score (ANGCHK)                       0.756    0.0163     0.725     0.774
Omega angle restraints RMS Z-score (OMECHK)            0.503    0.0239     0.467     0.531
Side chain planarity RMS Z-score (PLNCHK)              0.419      0.17     0.251     0.771
Improper dihedral distribution RMS Z-score (HNDCHK)    0.817    0.0359      0.75     0.849
Inside/outside distribution RMS Z-score (INOCHK)        1.03   0.00891      1.01      1.04
Inter-atomic bumps (BMPCHK)                             6.29      2.06         4         9
Unsatisfied hydrogen donors (BH2CHK)                    4.57      2.07         1         8
Unsatisfied hydrogen acceptors (BA2CHK)                0.286     0.488         0         1

MOLPROBITY:
Clashscore                                              2.79      2.08         0      5.74
Clashscore percentile                                     97      2.77        92       100
Clashscore Z-score                                       nan       nan      1.37       inf