Bifunctional P-450/nadph-P450 Reductase

(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  PHE-165   TYR-166  12.5 12.5 8.3 -7.7 104.2 104.1 -11.3  TYR-166   ARG-167  12.7 12.5 -0.8 -6.0 57.8 57.0 6.0  ARG-167   ASP-168  9.5 9.2 4.5 7.6 152.0 151.1 -13.9  ASP-168   GLN-169  8.9 7.8 -12.0 -15.6 82.9 90.0 11.2  GLN-169   PRO-170  5.1 4.2 -15.9 5.0 143.1 160.2 -30.6  PRO-170   HIS-171  3.9 3.3 13.0 0.2 41.8 46.5 58.3  HIS-171   PRO-172  3.3 2.7 7.6 -10.4 84.8 84.3 13.5  PRO-172   PHE-173  1.3 2.5 4.8 1.9 55.6 52.1 -4.8  PHE-173   ILE-174  1.7 1.4 -6.2 -0.5 53.8 55.3 11.6  ILE-174   THR-175  4.1 3.3 1.1 -1.2 126.8 127.1 21.9  THR-175   SER-176  3.5 3.7 1.6 1.1 65.4 60.1 5.4 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

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-214   LEU-215  5.1 5.4 -10.3 -3.5 89.2 87.8 43.5  LEU-215   VAL-216  1.5 1.9 -1.3 -1.2 29.6 34.9 3.1  VAL-216   ASP-217  1.9 1.7 -5.1 11.5 41.0 36.9 -8.3  ASP-217   LYS-218  3.1 3.0 -8.1 -4.0 88.8 85.4 32.2  LYS-218   ILE-219  3.6 3.9 -2.7 7.6 66.0 72.9 -11.4  ILE-219   ILE-220  3.0 3.3 -5.2 2.6 3.7 5.7 14.3  ILE-220   ALA-221  1.4 1.9 6.2 -18.9 112.8 119.3 45.2  ALA-221   ASP-222  4.6 4.4 10.1 -12.7 93.0 92.1 3.3  ASP-222   ARG-223  6.8 7.1 8.7 0.0 137.2 124.9 -39.5  ARG-223   LYS-224  6.5 7.1 -3.0 0.5 28.4 19.4 35.5  LYS-224   ALA-225  5.5 5.8 9.3 -14.3 96.3 105.1 7.7  ALA-225   SER-226  9.1 9.0 8.3 -18.0 96.7 94.1 -38.5  SER-230   ASP-231  13.7 14.4 4.9 15.6 116.4 102.2 -1.6  ASP-231   ASP-232  14.7 15.5 -48.3 49.0 140.3 144.2 6.7  ASP-232   LEU-233  13.8 14.2 -6.6 -6.8 85.4 85.5 17.0  LEU-233   LEU-234  12.5 12.9 7.1 1.6 117.9 116.9 -11.8 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