Probable 2-Dehydropantoate 2-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  GLY-104   LEU-105  6.2 6.2 3.4 -5.8 10.4 10.0 -26.6  LEU-105   GLY-106  7.1 7.2 -1.2 -7.9 114.7 115.9 -69.4  GLY-106   SER-107  9.1 9.1 5.0 1.8 68.4 73.1 69.6 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  ALA-113   ARG-114  7.4 7.4 7.5 0.2 107.3 105.7 -120.2  ARG-114   LEU-115  10.2 10.1 -3.0 -7.2 64.3 59.3 94.9  LEU-115   PRO-116  8.6 8.5 -6.4 3.3 61.4 67.5 121.0  PRO-116   ARG-117  5.9 5.4 13.6 3.6 105.9 112.8 -145.9  ARG-117   SER-118  7.1 6.7 -31.9 19.2 137.5 133.4 -59.3  SER-118   ARG-119  7.5 7.5 -2.6 11.7 115.5 120.9 122.3  SER-118   ARG-119  7.5 7.5 -2.6 11.7 115.5 120.9 122.3 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

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  SER-118   ARG-119  7.5 7.5 -2.6 11.7 115.5 120.9 122.3  SER-118   ARG-119  7.5 7.5 -2.6 11.7 115.5 120.9 122.3  ARG-119   CYS-120  5.7 5.9 10.5 -9.7 17.2 21.3 27.8  CYS-120   LEU-121  4.3 4.3 -10.9 10.2 121.9 125.8 -30.4 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  ILE-167   PRO-168  14.7 14.6 6.1 3.7 80.2 84.5 94.5  PRO-168   HIS-169  13.6 13.5 -7.9 4.6 132.3 134.5 -57.4  HIS-169   SER-170  12.1 12.2 -4.3 -4.2 111.8 111.0 -77.8  SER-170   TRP-171  12.7 12.8 -5.0 16.4 147.0 142.2 269.5  TRP-171   SER-172  12.0 12.0 15.3 5.3 86.9 94.2 11.9  SER-172   ASP-173  11.2 10.7 7.2 4.6 20.5 27.6 248.3  ASP-173   ASP-174  11.9 12.4 -40.4 12.3 92.3 104.7 -149.6  ASP-174   ILE-175  10.4 10.4 16.0 -6.9 134.8 132.2 -146.5  ILE-175   LEU-176  7.1 7.0 -2.4 -0.1 76.8 81.4 -53.8  LEU-176   GLU-177  7.4 7.0 6.7 3.0 137.4 132.3 -181.2  GLU-177   ARG-178  10.3 10.0 -9.8 -4.6 29.1 23.5 304.5  ARG-178   LEU-179  8.0 7.9 14.6 -0.9 106.2 99.5 -162.5  LEU-179   TRP-180  5.6 5.6 -7.3 3.6 72.5 74.2 -5.0 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