Nad-Dependent Deacetylase 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  PRO-33   THR-34  13.8 14.2 -2.0 4.4 145.3 128.6 5.8  THR-34   PHE-35  14.3 14.1 1.9 53.4 107.0 119.1 -64.0  PHE-35   ARG-36  13.9 13.9 -19.5 -176.4 90.4 46.3 -133.3  ARG-36   GLY-37  17.4 17.4 -92.8 12.5 89.3 70.3 406.7  GLY-37   GLU-38  20.8 18.6 58.4 158.4 159.4 64.0 -643.1  GLU-38   ASP-39  21.8 15.7 -164.1 -134.9 55.9 77.9 714.3  ASP-39   GLY-40  19.5 18.5 -61.0 -7.4 110.0 12.5 -575.6  GLY-40   LEU-41  17.0 18.4 179.4 16.6 131.5 105.7 463.9  LEU-41   TRP-42  14.1 14.6 -3.2 -13.6 92.3 85.9 -1.9  TRP-42   ARG-43  15.6 15.8 -14.0 31.7 63.2 46.5 -48.0  ARG-43   LYS-44  18.4 18.1 -7.8 28.7 16.1 37.6 -70.5 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  GLU-69   MET-70  5.3 5.3 -7.4 -8.3 52.6 53.2 44.3  MET-70   LYS-71  6.5 7.0 -12.5 34.2 82.5 64.1 15.3  LYS-71   ASP-72  6.4 5.6 -149.0 -89.9 86.0 61.8 -99.1 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-120   MET-121  2.5 3.5 -5.1 -3.5 43.3 38.5 27.7  MET-121   ASP-122  3.8 5.1 45.4 -37.3 84.7 81.7 -13.3  ASP-122   LYS-123  7.3 8.4 -8.6 -5.8 83.3 67.2 11.5 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  GLY-166   GLU-167  14.2 13.7 -18.8 -0.1 62.9 47.5 60.4  GLU-167   PRO-168  11.5 11.4 -0.7 7.5 28.4 43.4 -40.4  PRO-168   LEU-169  10.2 10.2 3.3 11.6 86.0 91.4 -8.4  LEU-169   PRO-170  6.6 6.7 -0.8 -7.4 64.8 58.4 23.3 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