Atp Sulfurylase

(All numbering and residues are taken from first PDB file)

Bending Residue Dihedral Analysis

Residue i Residue i+1 Distance of hinge axis to residue i in conformer 1 (A) Distance of hinge axis to residue i in conformer 2 (A) Change in psi (i) (deg) Change in phi (i+1) (deg) Angle of psi(i) axis to hinge axis conformer 1 (deg) Angle of psi(i) axis to hinge axis conformer 2 (deg) Percentage Progress  PRO-225   VAL-226  10.1 10.1 2.2 -7.8 33.0 25.4 -37.9  VAL-226   VAL-227  11.9 11.8 18.2 -24.9 61.1 58.6 -87.4  VAL-227   GLY-228  10.0 10.9 136.9 -7.9 40.7 40.1 573.5  GLY-228   LEU-229  13.0 13.2 -69.7 57.5 79.6 141.7 18.5  LEU-229   THR-230  15.7 11.9 9.1 43.2 164.6 102.2 -239.4  THR-230   LYS-231  16.1 9.5 -78.0 -16.6 73.4 125.3 -17.8  LYS-231   PRO-232  18.6 11.7 -34.7 6.1 114.3 91.5 -72.0  PRO-232   GLY-233  20.1 9.7 24.3 -13.5 103.1 125.7 -72.8  GLY-233   ASP-234  18.4 11.9 -14.2 -0.6 65.8 25.7 105.8  ASP-234   ILE-235  14.9 11.9 -106.9 21.5 118.0 47.7 -20.4  ILE-235   ASP-236  11.9 10.7 -175.6 6.8 147.5 31.4 -104.0  ASP-236   HIS-237  10.7 10.7 163.7 12.6 93.0 87.8 80.5  HIS-237   PHE-238  7.9 8.2 -25.0 -0.4 96.6 86.1 -13.4 Graph shows rotational transition at bending residues and can be used to identify hinge bending residues. Probably only informative for interdomain rotations greater than 20 degrees

Residue i Residue i+1 Distance of hinge axis to residue i in conformer 1 (A) Distance of hinge axis to residue i in conformer 2 (A) Change in psi (i) (deg) Change in phi (i+1) (deg) Angle of psi(i) axis to hinge axis conformer 1 (deg) Angle of psi(i) axis to hinge axis conformer 2 (deg) Percentage Progress  ARG-240   VAL-241  5.4 5.7 -10.2 6.3 77.4 84.4 11.7  VAL-241   ARG-242  2.6 2.7 -4.3 2.1 109.8 114.7 -24.7  ARG-242   ALA-243  2.2 2.4 5.1 2.8 8.9 7.6 64.5  ALA-243   TYR-244  2.1 2.4 -2.3 0.1 102.1 100.7 -39.8  TYR-244   GLN-245  2.2 1.9 -4.1 0.0 81.6 82.5 -0.3 Graph shows rotational transition at bending residues and can be used to identify hinge bending residues. Probably only informative for interdomain rotations greater than 20 degrees

Residue i Residue i+1 Distance of hinge axis to residue i in conformer 1 (A) Distance of hinge axis to residue i in conformer 2 (A) Change in psi (i) (deg) Change in phi (i+1) (deg) Angle of psi(i) axis to hinge axis conformer 1 (deg) Angle of psi(i) axis to hinge axis conformer 2 (deg) Percentage Progress  LEU-385   ARG-386  9.3 8.6 10.9 -7.1 88.1 91.3 4.4  ARG-386   GLU-387  12.6 12.1 -1.2 16.1 155.9 152.4 84.0  GLU-387   SER-388  12.7 12.7 9.2 6.9 58.0 57.3 56.0 Graph shows rotational transition at bending residues and can be used to identify hinge bending residues. Probably only informative for interdomain rotations greater than 20 degrees