QualityChecks.py ascii summary: Temporary directory: /Bis/scratch/bardiaux/aria_temp.tmpgatThq1153254016/TEMP_1153256749.93479534993173 Working directory: /home/Bis/bardiaux/projects/relax/ph/run_relax_no_log_dist/structures/it8 The following files have been analysed: ph_54.pdb ph_87.pdb ph_62.pdb ph_30.pdb ph_9.pdb ph_96.pdb ph_22.pdb ph_70.pdb ph_50.pdb ph_29.pdb ph_3.pdb ph_35.pdb ph_19.pdb ph_34.pdb ph_4.pdb ph_44.pdb ph_15.pdb ph_24.pdb ph_17.pdb ph_23.pdb value error min max PROCHECK: most favoured regions 67.4 3.76 61.2 74.5 allowed regions 28.3 3.16 22.4 34.7 generously allowed regions 2.7 1.61 0 6.1 disallowed regions 1.61 1.12 0 4.1 labelled residues (all Ramachandrans) 11.9 3.73 5 20 labelled residues (Chi1-chi2 plots) 0.2 0.41 0 1 bad contacts 2 1.72 0 6 G-factor dihedrals -0.0455 0.0344 -0.14 0.02 G-factor covalent 0.69 0 0.69 0.69 G-factor overall 0.236 0.0221 0.18 0.28 WHATCHECK: 1st generation packing quality Z-score (QUACHK) -2.08 0.25 -2.53 -1.68 2nd generation packing quality Z-score (NQACHK) -3.22 0.342 -4.27 -2.73 Ramachandran plot appearance Z-score (RAMCHK) -4.07 0.385 -4.84 -3.61 Chi-1 chi-2 rotamer normality Z-score (C12CHK) 0.798 0.453 -0.445 1.39 Backbone conformation Z-score (BBCCHK) -2.45 0.725 -3.7 -1.09 Bond lengths RMS Z-score (BNDCHK) 0.177 0.00327 0.171 0.183 Bond angles RMS Z-score (ANGCHK) 0.385 0.00343 0.38 0.39 Omega angle restraints RMS Z-score (OMECHK) 0.0462 0.00483 0.038 0.056 Side chain planarity RMS Z-score (PLNCHK) 0.057 0.00776 0.048 0.074 Improper dihedral distribution RMS Z-score (HNDCHK) 0.133 0.00548 0.123 0.147 Inside/outside distribution RMS Z-score (INOCHK) 0.984 0.0265 0.94 1.03 Inter-atomic bumps (BMPCHK) 14.4 4.3 8 25 Unsatisfied hydrogen donors (BH2CHK) 16.8 4.44 8 25 Unsatisfied hydrogen acceptors (BA2CHK) 0.4 0.503 0 1