*** pdbcop.py (v0.4) ***

Tuesday, January 23 2024 11:11:43 AM Verbosity: 2


Input file: /home/kolenpe1/soft/pdbcop/2rgs.cif
Log file: pdbcop.log

 *** Atoms in chains ***

  A : 1940
  B : 1961
  C : 114
  D : 112

 *** Composition of AU ***

  Chain: Res/Nuc/Other/Wat:
  A : 206 / 0 / 0 / 257
  B : 207 / 0 / 0 / 276
  C : 0 / 0 / 9 / 0
  D : 0 / 0 / 9 / 0

 *** Alternatives and low occupancies ***
 
 Atoms in alternatives: 162
 Low-occupancy atoms: 39
 All atoms with non-zero occupancy: 201
 Minimal occupancy: 0.01
 Atoms with occupancy lower than 0.1: 2

  Found in residues:
 A/VAL/266
 A/ASP/269


  List of reduced occupancies:
 A/CYS/261--0.75
 A/VAL/266--0.09
 A/ASP/269--0.01
 A/GLU/318--0.5
 A/CYS/321--0.75
 A/CYS/367--0.75
 A/CYS/425--0.75
 B/CYS/261--0.75
 B/GLU/318--0.5
 B/CYS/321--0.75
 B/CYS/367--0.75
 B/CYS/425--0.75
 C/FUC/9--0.8
 D/FUC/9--0.8
 A/HOH/788--0.5
 A/HOH/955--0.2
 B/HOH/976--0.2

  List of alternatives:
 A/HIS/292(A)--0.65
 A/HIS/292(B)--0.35
 A/GLU/294(A)--0.5
 A/GLU/294(B)--0.5
 A/LYS/322(A)--0.65
 A/LYS/322(B)--0.35
 A/HIS/386(A)--0.5
 A/HIS/386(B)--0.5
 A/GLU/389(A)--0.35
 A/GLU/389(B)--0.65
 A/GLU/418(A)--0.65
 A/GLU/418(B)--0.35
 A/ASP/421(A)--0.5
 A/ASP/421(B)--0.5
 A/LYS/439(A)--0.65
 A/LYS/439(B)--0.35
 B/SER/254(A)--0.65
 B/SER/254(B)--0.35
 B/GLN/274(A)--0.5
 B/GLN/274(B)--0.5
 B/SER/304(A)--0.65
 B/SER/304(B)--0.35
 B/LYS/326(A)--0.35
 B/LYS/326(B)--0.65
 B/LYS/416(A)--0.65
 B/LYS/416(B)--0.35
 B/GLU/418(A)--0.65
 B/GLU/418(B)--0.35
 B/LYS/438(A)--0.65
 B/LYS/438(B)--0.35
 C/MAN/4(A)--0.65
 C/MAN/4(B)--0.35
 C/GAL/6(A)--0.65
 C/GAL/6(B)--0.35
 D/MAN/4(A)--0.65
 D/MAN/4(B)--0.35


 *** Analysis of ADPs *** 

  Overall ADP (ISO or equivalent):
 Minimal: 2.0
 Maximal: 64.95
 Average: 25.9

  Chain: Min / Max / Av. ADP
 A: 8.27 / 64.95 / 26.0
 B: 2.0 / 64.84 / 25.5
 C: 14.91 / 54.89 / 27.9
 D: 16.51 / 54.75 / 28.6



  Residues with overall ADP lower than 7.0
 B/PHE/405
 B/HOH/976

  Atoms with overall ADP higher than 54.95
 A/HOH/774
 A/HOH/798
 A/HOH/883
 A/HOH/945
 A/HOH/946
 B/HOH/732
 B/HOH/742
 B/HOH/756
 B/HOH/783
 B/HOH/818
 B/HOH/829
 B/HOH/906
 B/HOH/952
 B/HOH/958