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  ARG-167   ASP-168  11.4 11.1 11.1 -19.8 22.0 19.3 -64.2  ASP-168   GLN-169  10.8 10.3 -11.8 21.4 96.7 92.9 -34.0  GLN-169   PRO-170  7.4 7.8 -16.3 -9.4 37.4 47.1 85.0  PRO-170   HIS-171  4.6 4.4 -4.8 -7.1 30.9 26.9 30.1  HIS-171   PRO-172  4.9 4.3 -6.3 1.7 88.8 89.5 26.8  PRO-172   PHE-173  4.8 4.4 -0.9 -0.1 63.3 70.5 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  MET-212   ASN-213  4.7 4.9 12.2 -5.2 1.7 4.5 20.1  ASN-213   ASP-214  5.9 6.1 13.0 -11.1 66.6 71.1 11.7  ASP-214   LEU-215  6.0 5.9 3.5 -5.0 89.9 86.7 6.5  LEU-215   VAL-216  2.8 2.4 7.0 2.7 41.8 35.0 35.7  VAL-216   ASP-217  1.3 1.8 5.5 -12.0 28.9 38.6 -17.2  ASP-217   LYS-218  3.2 3.4 5.0 10.3 81.4 88.1 19.8  LYS-218   ILE-219  4.3 4.2 -0.2 -10.5 100.3 111.7 -2.4  ILE-219   ILE-220  3.5 3.1 1.7 5.2 14.8 8.2 19.4  ILE-220   ALA-221  1.9 1.5 9.6 -2.7 53.3 61.5 21.3  ALA-221   ASP-222  4.1 4.6 4.0 -5.8 90.3 89.4 -9.9  ASP-222   ARG-223  7.0 6.8 -4.1 9.5 123.3 133.4 18.7  ARG-223   LYS-224  7.0 6.4 -0.4 4.4 170.3 157.4 11.0  LYS-224   ALA-225  5.3 5.4 0.8 -16.1 67.7 78.1 -35.2  ALA-225   SER-226  8.3 9.0 8.7 18.6 92.5 95.9 -25.4  GLN-229   SER-230  14.9 13.9 -6.2 23.4 25.9 45.4 -69.1  SER-230   ASP-231  14.5 13.9 -3.8 13.7 97.9 108.8 -53.1  ASP-231   ASP-232  15.6 15.2 -33.2 27.9 23.0 28.5 27.8 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