## Report for iteration 8
## 
## Created by ARIA 2.3.2, Wed Jul 15 14:38:58 2015
##
## Author:  
## Date:    
## Project: tudor
## Run:     1
## Path:    /Bis/home/bardiaux/EMBO/2015/example/run1
##
## Restraints:
##
## Used during calculation: 1187
## Violated:                42 (3.5)
## Merged:                  523
##
## -----------------------------------------------------------------
##
## Spectrum:                   13C
## Calibration factor:         6.495298e+06
##
## Restraints:
##
## Used during calculation: 806
## Violated:                40 (5.0%)
##
## Unambiguous restraints: 693
## Violated:               37 (5.3%)
##
## Ambiguous restraints:   113
## Violated:               3 (2.7%)
## Contribution histogram: 2:    106
##                         3:    7
##                         4:    0
##                         5:    0
##                         6-10: 0
##                         >10:  0
## -----------------------------------------------------------------
##
## Spectrum:                   15N
## Calibration factor:         7.899854e+06
##
## Restraints:
##
## Used during calculation: 381
## Violated:                2 (0.5%)
##
## Unambiguous restraints: 351
## Violated:               2 (0.6%)
##
## Ambiguous restraints:   30
## Violated:               0 (0.0%)
## Contribution histogram: 2:    28
##                         3:    2
##                         4:    0
##                         5:    0
##                         6-10: 0
##                         >10:  0
## -----------------------------------------------------------------
##
##

## Ensemble RMSD (7 structures)
## All residues
## Backbone (N,CA,C,O) : 0.58 +/- 0.10 A
## Heavy atoms         : 0.99 +/- 0.08 A
##
## Ordered residues : A15:16,A21:27,A29:49,A52:65
## Backbone (N,CA,C,O) : 0.22 +/- 0.05 A
## Heavy atoms         : 0.60 +/- 0.08 A
## -----------------------------------------------------------------


Summary for quality checks:
---------------------------
Created: Wed Jul 15 14:53:19 2015

Temporary directory:
  /Bis/home/bardiaux/EMBO/2015/example/aria_temp.tmph2WJJH1436963116/TEMP_1436964447.11186402514256

Working directory:
  /Bis/home/bardiaux/EMBO/2015/example/run1/structures/it8

The following files have been analysed:
  tudor_11.pdb
  tudor_17.pdb
  tudor_14.pdb
  tudor_7.pdb
  tudor_13.pdb
  tudor_19.pdb
  tudor_3.pdb


                                                       value     error       min       max
PROCHECK:
most favoured regions                                   65.2       2.9      60.4      68.8
allowed regions                                         32.1      2.33      29.2      35.4
generously allowed regions                               2.1      1.21         0       4.2
disallowed regions                                       0.6      1.02         0       2.1
labelled residues (all Ramachandrans)                   7.86      1.35         6        10
labelled residues (Chi1-chi2 plots)                     2.43     0.535         2         3
bad contacts                                            2.71      1.11         1         4
G-factor dihedrals                                     0.134      1.28     -0.42      3.04
G-factor covalent                                      0.599    0.0107      0.58      0.61
G-factor overall                                       0.319     0.777     -0.02      2.08

WHATCHECK:
1st generation packing quality Z-score (QUACHK)        -1.75     0.153     -1.94     -1.52
2nd generation packing quality Z-score (NQACHK)       -0.835     0.358     -1.29    -0.203
Ramachandran plot appearance Z-score (RAMCHK)          -5.34     0.818     -6.38     -4.42
Chi-1 chi-2 rotamer normality Z-score (C12CHK)         -5.49     0.379     -6.09     -5.11
Backbone conformation Z-score (BBCCHK)                 -2.19     0.358      -2.7     -1.57
Bond lengths RMS Z-score (BNDCHK)                       0.27    0.0144     0.252     0.287
Bond angles RMS Z-score (ANGCHK)                       0.417    0.0155     0.403     0.443
Omega angle restraints RMS Z-score (OMECHK)            0.215    0.0103     0.201     0.234
Side chain planarity RMS Z-score (PLNCHK)             0.0964    0.0271     0.071     0.148
Improper dihedral distribution RMS Z-score (HNDCHK)    0.451    0.0128     0.435     0.468
Inside/outside distribution RMS Z-score (INOCHK)        1.03    0.0186         1      1.05
Inter-atomic bumps (BMPCHK)                               17      4.51        12        25
Unsatisfied hydrogen donors (BH2CHK)                    8.57      1.51         7        11
Unsatisfied hydrogen acceptors (BA2CHK)                    0         0         0         0

MOLPROBITY:
Clashscore                                              51.8      8.18      42.5      66.6
Clashscore percentile                                   3.71      1.98         1         7
Clashscore Z-score                                     -1.76     0.218     -2.14     -1.49