Adenylate Kinase (Adk) (E.C.2.7.4.3)

(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-112   ASP-113  8.7 7.8 -8.6 -3.9 59.2 57.6 13.7  ASP-113   GLU-114  6.8 6.2 -22.1 6.8 115.3 117.6 -11.5  GLU-114   LEU-115  5.8 5.9 -21.5 22.6 105.9 119.2 3.3  LEU-115   ILE-116  2.5 3.2 -20.4 -11.2 40.0 50.9 57.9  ILE-116   VAL-117  1.8 1.7 -1.0 4.8 78.9 70.9 -8.2  VAL-117   ASP-118  2.1 2.9 19.2 -12.5 53.5 49.8 12.3  ASP-118   ARG-119  3.6 3.6 6.4 -14.8 95.1 86.6 -2.1 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  ARG-156   LYS-157  12.1 11.7 6.6 10.1 67.8 61.0 10.3  LYS-157   ASP-158  11.2 10.2 -19.2 19.6 91.3 77.0 -16.0  ASP-158   ASP-159  7.5 6.8 -25.3 5.9 31.3 29.8 34.2  ASP-159   GLN-160  7.2 7.1 -101.8 104.7 81.5 89.8 17.2  GLN-160   GLU-161  6.8 8.2 -15.7 -12.2 88.2 79.4 4.3  GLU-161   GLU-162  6.1 7.5 -7.4 3.6 148.6 139.8 -4.1  GLU-162   THR-163  6.1 8.2 26.8 -17.9 76.6 61.3 9.2  THR-163   VAL-164  3.0 5.1 -4.7 -4.0 55.5 56.9 11.3  VAL-164   ARG-165  0.9 2.9 -2.9 -10.1 105.3 91.1 -6.7  ARG-165   LYS-166  4.0 5.5 25.1 -9.5 37.6 29.9 23.2  LYS-166   ARG-167  3.1 5.4 -23.8 26.5 80.9 95.5 1.7  ARG-167   LEU-168  3.0 2.8 -10.3 8.2 59.8 60.3 2.6  LEU-168   VAL-169  5.6 5.3 -16.9 8.9 124.8 112.7 -17.9  VAL-169   GLU-170  7.6 8.4 2.2 6.1 58.3 41.1 11.9  GLU-170   TYR-171  7.4 7.4 -0.7 -3.0 54.5 74.0 3.5  TYR-171   HIS-172  9.1 8.3 10.3 -9.0 98.9 106.3 1.9  HIS-172   GLN-173  11.4 11.1 -12.3 24.1 143.7 133.9 5.6 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