Arno

(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  ASP-131   LEU-132  7.4 7.4 -9.6 -3.4 51.5 52.0 25.1  LEU-132   HIS-133  7.4 7.1 6.5 -3.6 85.1 89.3 -7.3  HIS-133   GLU-134  4.3 4.1 15.1 -13.4 37.6 38.6 23.5  GLU-134   PHE-135  6.5 5.9 4.8 0.8 67.5 74.2 3.4 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  PHE-147   LEU-148  2.9 3.0 -0.7 -9.1 131.1 135.5 -38.0  LEU-148   TRP-149  6.1 6.2 11.9 -4.5 17.1 23.4 47.2  TRP-149   SER-150  4.9 5.1 6.1 -6.7 70.4 64.8 18.9 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  ASP-161   ARG-162  14.2 14.4 -0.6 -3.5 96.8 92.9 -26.0  ARG-162   MET-163  13.1 13.2 3.4 0.1 106.1 106.4 10.4  MET-163   MET-164  9.9 10.1 2.5 2.1 51.9 47.6 9.6  MET-164   GLU-165  9.0 9.2 -1.7 -5.8 152.8 142.8 -21.9  GLU-165   ALA-166  9.3 9.4 2.7 -0.6 97.6 103.9 5.1  ALA-166   PHE-167  7.6 7.9 -6.1 3.3 86.2 87.4 3.4  PHE-167   ALA-168  4.5 4.7 4.4 -5.5 21.4 23.9 -5.0  ALA-168   GLN-169  4.7 4.6 3.1 3.3 58.0 61.9 38.4  GLN-169   ARG-170  4.7 4.7 -0.8 -4.5 72.3 70.6 14.8  ARG-170   TYR-171  3.1 3.1 6.2 0.5 72.1 75.5 9.3  TYR-171   CYS-172  0.8 0.6 -0.2 -1.3 164.3 156.7 0.2 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