Proteinase A

(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  ALA-228   GLU-229  7.7 7.8 -7.3 7.9 143.2 147.6 51.5  GLU-229   MET-230  10.5 10.6 2.5 -1.3 30.4 34.2 -47.1  MET-230   ILE-231  8.9 8.7 -5.8 -1.6 100.3 110.5 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

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-255   PRO-256  5.9 6.1 -3.0 4.6 112.6 112.1 58.4  PRO-256   ASP-257  4.3 4.6 1.4 1.6 12.4 12.2 1.8  ASP-257   LEU-258  5.6 5.8 -0.3 4.9 119.5 119.4 50.4 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  THR-268   ILE-269  8.5 8.2 10.9 -0.1 95.1 96.6 76.7  ILE-269   GLY-270  7.9 7.9 22.4 -14.7 29.6 27.8 78.9  GLY-270   PRO-271  8.4 8.5 -3.4 3.4 86.7 92.3 8.9 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  SER-284   ALA-285  10.4 10.2 5.3 -1.4 11.8 4.7 48.7  ALA-285   ILE-286  8.9 9.0 -0.2 -10.8 98.0 107.1 -5.9  ILE-286   THR-287  6.7 6.8 -13.3 16.9 104.6 102.2 -56.3 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