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  HIS-32   LEU-33  1.4 2.5 3.4 -5.7 120.1 116.8 16.6  LEU-33   ALA-34  1.6 2.5 -7.5 2.8 60.1 58.5 7.6  ALA-34   THR-35  5.0 6.1 -7.8 -3.3 65.3 68.4 29.7 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

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-71   ILE-72  10.4 10.0 -16.1 7.4 62.2 70.7 32.2  ILE-72   LYS-73  7.1 6.6 2.4 6.5 100.3 98.1 -5.3  LYS-73   ASP-74  9.9 9.3 -14.2 -1.1 34.9 22.5 34.5  ASP-74   GLU-75  11.7 10.8 7.3 -43.4 37.1 40.4 -81.6  ASP-74   GLU-75  11.7 10.8 7.3 -43.4 37.1 40.4 -81.6 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  ASP-74   GLU-75  11.7 10.8 7.3 -43.4 37.1 40.4 -81.6  ASP-74   GLU-75  11.7 10.8 7.3 -43.4 37.1 40.4 -81.6  GLU-75   LEU-76  8.7 7.7 55.4 -2.2 82.0 87.7 21.4  LYS-83   ASN-84  10.8 10.3 -21.0 -37.2 96.4 112.3 -39.9  ASN-84   GLY-85  10.4 9.9 -167.0 -56.7 26.1 95.0 -124.3  GLY-85   PHE-86  8.6 8.5 -25.6 74.8 89.7 38.2 -104.0  PHE-86   ILE-87  5.0 8.0 -8.9 -6.4 66.3 78.4 -7.1  ILE-87   LEU-88  4.3 4.8 43.1 -34.6 117.4 116.9 -33.8  LEU-88   VAL-89  2.1 4.5 -6.5 33.1 78.4 62.3 33.4 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