Nucleoside Diphosphate 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  MET-42   ARG-43  5.2 5.1 -0.1 24.4 83.4 83.0 -110.5  ARG-43   ILE-44  2.6 2.7 -8.9 16.9 153.5 144.1 35.5  ILE-44   ASP-45  0.4 0.4 19.7 -25.4 63.7 59.4 129.5 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  SER-71   GLY-72  6.6 6.8 -1.5 6.1 120.7 118.1 104.5  GLY-72   PRO-73  3.8 3.8 -10.4 10.7 68.3 67.2 25.7  PRO-73   VAL-74  1.8 1.9 10.5 -11.9 71.1 69.0 -9.6 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  ALA-134   LEU-135  13.2 13.0 -9.9 3.4 103.3 96.9 -79.2  LEU-135   PHE-136  9.6 9.4 19.8 -20.6 126.6 127.8 30.1  PHE-136   PHE-137  8.5 8.3 19.7 -28.9 93.5 97.8 283.3  PHE-137   ASP-138  11.2 11.1 5.9 -31.2 19.8 27.8 -403.9  ASP-138   ASP-139  12.7 13.3 7.2 -0.5 107.5 112.4 -108.0  ASP-139   ASP-140  16.4 17.1 -4.1 22.8 63.9 65.4 -286.9  ASP-140   GLU-141  17.8 17.4 -14.3 -12.8 10.9 7.2 510.3  GLU-141   LEU-142  16.1 15.7 10.9 -12.1 122.8 119.0 4.0  LEU-142   VAL-143  18.0 18.0 1.3 2.8 98.5 98.0 153.7  VAL-143   ASP-144  21.1 21.2 4.6 9.4 96.5 91.4 -221.7 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