## Report for iteration 8
## 
## Created by ARIA 2.3.2, Wed Jul 15 15:19:47 2015
##
## Author:  
## Date:    
## Project: tudor
## Run:     3
## Path:    /Bis/home/bardiaux/EMBO/2015/example/run3
##
## Restraints:
##
## Used during calculation: 1229
## Violated:                256 (20.8)
## Merged:                  613
##
## -----------------------------------------------------------------
##
## Spectrum:                   13C
## Calibration factor:         7.037865e+06
##
## Restraints:
##
## Used during calculation: 824
## Violated:                209 (25.4%)
##
## Unambiguous restraints: 819
## Violated:               209 (25.5%)
##
## Ambiguous restraints:   5
## Violated:               0 (0.0%)
## Contribution histogram: 2:    5
##                         3:    0
##                         4:    0
##                         5:    0
##                         6-10: 0
##                         >10:  0
## -----------------------------------------------------------------
##
## Spectrum:                   15N
## Calibration factor:         8.916255e+06
##
## Restraints:
##
## Used during calculation: 405
## Violated:                47 (11.6%)
##
## Unambiguous restraints: 405
## Violated:               47 (11.6%)
##
## Ambiguous restraints:   0
## Violated:               0 (0.%)
## Contribution histogram: 2:    N/A
##                         3:    N/A
##                         4:    N/A
##                         5:    N/A
##                         6-10: N/A
##                         >10:  N/A
## -----------------------------------------------------------------
##
##

## Ensemble RMSD (7 structures)
## All residues
## Backbone (N,CA,C,O) : 1.98 +/- 0.77 A
## Heavy atoms         : 2.68 +/- 0.82 A
##
## Ordered residues : A19,A31:37,A46,A49:51,A58,A60:63,A65
## Backbone (N,CA,C,O) : 0.68 +/- 0.19 A
## Heavy atoms         : 0.97 +/- 0.28 A
## -----------------------------------------------------------------


Summary for quality checks:
---------------------------
Created: Wed Jul 15 15:34:00 2015

Temporary directory:
  /Bis/home/bardiaux/EMBO/2015/example/aria_temp.tmpV4s6qJ1436965671/TEMP_1436966894.07878737429234

Working directory:
  /Bis/home/bardiaux/EMBO/2015/example/run3/structures/it8

The following files have been analysed:
  tudor_4.pdb
  tudor_14.pdb
  tudor_12.pdb
  tudor_19.pdb
  tudor_18.pdb
  tudor_6.pdb
  tudor_11.pdb


                                                       value     error       min       max
PROCHECK:
most favoured regions                                   53.3      4.94      45.8      58.3
allowed regions                                         36.6      5.36      29.2      43.8
generously allowed regions                              7.16      4.78         0      12.5
disallowed regions                                         3      2.38         0       6.3
labelled residues (all Ramachandrans)                   12.4      2.64         9        17
labelled residues (Chi1-chi2 plots)                     4.14      0.69         3         5
bad contacts                                            17.1      4.02        10        22
G-factor dihedrals                                    -0.714    0.0746      -0.8     -0.57
G-factor covalent                                      -0.13     0.235     -0.46      0.13
G-factor overall                                       -0.48     0.128     -0.66     -0.29

WHATCHECK:
1st generation packing quality Z-score (QUACHK)         -2.5     0.441     -3.04     -1.66
2nd generation packing quality Z-score (NQACHK)        -1.45      0.64     -2.38    -0.503
Ramachandran plot appearance Z-score (RAMCHK)          -6.27      1.23      -7.8     -4.34
Chi-1 chi-2 rotamer normality Z-score (C12CHK)          -6.8     0.786     -7.45     -5.54
Backbone conformation Z-score (BBCCHK)                 -2.66     0.694     -3.42     -1.53
Bond lengths RMS Z-score (BNDCHK)                      0.872     0.111     0.756      1.05
Bond angles RMS Z-score (ANGCHK)                        1.03     0.128     0.887      1.18
Omega angle restraints RMS Z-score (OMECHK)            0.542     0.116     0.368     0.693
Side chain planarity RMS Z-score (PLNCHK)              0.264    0.0656     0.175     0.363
Improper dihedral distribution RMS Z-score (HNDCHK)     1.08     0.248     0.716      1.41
Inside/outside distribution RMS Z-score (INOCHK)        1.04    0.0196      1.01      1.07
Inter-atomic bumps (BMPCHK)                             44.6      5.56        35        50
Unsatisfied hydrogen donors (BH2CHK)                    14.4      3.78         9        19
Unsatisfied hydrogen acceptors (BA2CHK)                0.571     0.787         0         2

MOLPROBITY:
Clashscore                                               275        68       181       380
Clashscore percentile                                      0         0         0         0
Clashscore Z-score                                     -4.13     0.362     -4.63     -3.57