Adenylate Kinase

(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-117   ASP-118  4.1 3.3 44.4 -43.4 125.1 126.8 15.1  ASP-118   ARG-119  3.7 3.2 13.3 -21.2 86.1 98.0 -4.6  ARG-119   ILE-120  1.3 1.2 2.2 30.3 33.7 37.1 62.5 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  LEU-153   THR-154  17.2 17.2 10.4 -15.9 127.5 119.4 -12.8  THR-154   THR-155  15.2 14.8 -18.2 9.4 99.0 93.4 2.4  THR-155   ARG-156  11.6 11.4 1.1 -9.4 153.7 163.4 9.7  ARG-156   LYS-157  9.2 9.2 9.3 -20.3 115.2 101.4 17.0  LYS-157   ASP-158  8.0 8.6 10.5 -14.6 75.4 89.5 -15.9  ASP-158   ASP-159  4.5 4.8 24.8 6.6 27.3 20.2 57.4  ASP-159   GLN-160  4.6 4.8 45.3 -60.5 82.8 70.3 -6.2  GLN-160   GLU-161  6.7 4.8 35.0 -20.1 73.2 81.7 5.9  GLU-161   GLU-162  7.2 5.4 -5.4 -0.6 45.5 39.7 1.1  GLU-162   THR-163  8.5 6.9 5.3 -6.8 115.6 122.4 7.8  THR-163   VAL-164  5.1 3.6 6.1 -5.7 52.3 61.8 0.5 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