Nad-Dependent Formate Dehydrogenase (E.C.1.2.1.2)

(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  ILE-122   GLY-123  11.5 11.5 1.6 -0.3 80.7 75.1 81.1  GLY-123   SER-124  14.3 14.1 -20.0 16.5 132.4 131.2 41.2  SER-124   ASP-125  17.6 17.5 19.9 -6.7 79.3 86.3 -14.1  ASP-125   HIS-126  19.4 18.9 -4.7 -0.5 161.1 156.6 -46.7  HIS-126   VAL-127  19.6 19.4 -11.9 12.3 101.6 92.6 -68.6 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  CYS-145   ASN-146  8.1 8.1 3.8 -3.2 76.6 79.2 19.6  ASN-146   SER-147  4.8 4.6 0.5 0.3 135.2 132.5 -4.5  SER-147   ILE-148  4.7 4.3 0.3 5.3 101.6 100.3 46.3  ILE-148   SER-149  1.1 0.9 -2.7 2.8 142.3 141.8 -16.0  SER-149   VAL-150  0.3 0.3 0.7 -1.2 93.9 91.2 16.1  VAL-150   ALA-151  4.1 3.9 -3.3 -3.2 41.9 43.9 -3.6 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  ILE-333   SER-334  5.2 5.2 3.8 3.8 33.8 33.4 79.6  SER-334   GLY-335  4.2 4.3 -1.2 -3.7 101.8 104.6 28.5  GLY-335   THR-336  4.0 3.6 6.8 2.0 138.8 137.7 -49.2  THR-336   THR-337  3.1 2.8 0.4 3.3 106.1 108.1 -12.2  THR-337   LEU-338  1.4 1.7 -0.4 3.4 75.0 73.2 24.6  LEU-338   THR-339  4.8 5.2 -1.5 0.7 142.1 141.3 -21.3  THR-339   ALA-340  6.3 6.4 -6.3 3.7 107.3 107.7 -0.4 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