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  16.7 16.4 -3.9 -1.0 100.5 101.9 -8.5  TYR-166   ARG-167  17.1 17.0 11.6 -16.3 32.7 36.8 35.0  ARG-167   ASP-168  14.9 14.8 8.1 3.6 39.5 32.6 -54.9  ASP-168   GLN-169  15.6 14.2 -41.6 23.2 115.8 92.1 -55.7  GLN-169   PRO-170  11.8 10.7 -33.0 -8.8 39.2 18.8 184.6  PRO-170   HIS-171  9.1 8.7 7.7 21.0 125.7 115.7 -28.6  HIS-171   PRO-172  7.7 7.8 -9.0 6.7 116.1 113.7 -29.0  PRO-172   PHE-173  5.6 6.1 -3.2 -9.1 70.0 69.7 26.1 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  LYS-224   ALA-225  5.2 4.9 0.7 5.3 65.3 57.4 -0.3  ALA-225   SER-226  8.4 8.0 -31.9 9.5 115.7 123.7 -99.5  GLN-229   SER-230  6.5 5.4 -9.7 17.1 45.5 55.2 -45.5  SER-230   ASP-231  6.7 7.7 10.4 59.0 77.6 92.4 -45.2  ASP-231   ASP-232  8.0 10.2 -84.4 55.9 31.1 37.9 126.6  ASP-232   LEU-233  8.5 8.2 -22.7 -9.7 71.1 98.5 10.5  LEU-233   LEU-234  8.2 8.0 20.5 -7.1 80.4 74.1 7.7  LEU-234   THR-235  4.5 4.3 3.7 -9.0 20.0 7.5 -32.1  THR-235   HIS-236  4.5 4.4 -1.6 12.7 101.9 108.2 23.2  HIS-236   MET-237  7.8 7.7 -11.1 -3.1 60.3 77.8 13.3  MET-237   LEU-238  7.5 7.4 2.2 22.5 58.2 53.1 9.2  LEU-238   ASN-239  5.7 5.1 -2.9 16.5 161.0 157.7 89.0  ASN-239   GLY-240  6.6 6.4 3.6 -2.2 74.9 85.6 4.9  GLY-240   LYS-241  9.9 10.1 0.4 -9.4 88.1 80.5 -25.7  LYS-241   ASP-242  13.1 13.0 -4.7 11.3 80.4 76.2 -8.3 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