Barnase

(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  VAL-36   ALA-37  6.9 6.2 -11.1 2.1 43.7 48.0 3.1  ALA-37   SER-38  6.6 6.5 -173.9 12.2 95.2 76.5 81.1  SER-38   LYS-39  3.5 3.7 -164.7 17.5 87.9 61.9 93.0  LYS-39   GLY-40  5.6 1.6 -18.2 139.8 59.1 22.3 -72.5  GLY-40   ASN-41  5.0 3.7 40.6 -7.5 158.1 101.1 -14.6  ASN-41   LEU-42  6.2 6.3 -81.5 -4.4 94.5 82.7 8.5  LEU-42   ALA-43  9.9 9.5 -9.1 -6.9 60.3 52.5 4.4  ALA-43   ASP-44  10.7 10.4 1.1 -10.1 60.5 67.4 -5.4  ASP-44   VAL-45  11.1 10.9 4.9 5.5 57.3 45.9 7.3 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