Nad Dependent Epimerase/dehydratase

(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  LEU-9   ILE-10  6.3 6.3 -4.4 4.2 52.9 55.1 9.9  ILE-10   VAL-11  6.4 6.2 -5.6 2.5 83.9 85.2 8.6  VAL-11   GLY-12  9.8 9.7 -5.3 27.1 73.1 72.2 -27.4  GLN-16   ILE-17  15.1 14.8 164.9 21.0 88.9 86.5 -29.7  ILE-17   GLY-18  11.6 11.6 22.6 -7.4 40.9 51.6 122.6  GLY-18   SER-19  9.6 10.1 -2.7 -16.7 153.9 161.7 -155.4  SER-19   GLU-20  11.7 11.1 -16.0 21.1 101.1 101.9 -89.9  GLU-20   LEU-21  11.0 10.9 13.5 -10.1 101.6 106.7 94.5  LEU-21   ALA-22  7.6 7.6 -7.0 -2.2 134.4 133.2 -67.9  ALA-22   LEU-23  5.9 6.0 -2.7 10.7 133.3 142.6 47.1  LEU-23   ALA-24  7.1 7.4 -3.1 -10.6 69.8 77.2 -32.4  ALA-24   LEU-25  7.5 7.4 7.2 4.7 93.1 96.2 -1.7 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  THR-71   GLN-72  9.6 9.6 -5.1 2.7 45.1 44.9 39.3  GLN-72   VAL-73  6.3 6.3 2.0 3.2 83.0 80.0 67.0  VAL-73   TYR-74  5.9 5.8 4.9 -0.5 116.8 117.5 -48.2  TYR-74   LEU-75  4.2 4.1 8.7 -1.3 80.4 83.0 -55.4  TYR-74   LEU-75  4.2 4.1 8.7 -1.3 80.4 83.0 -55.4 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  TYR-74   LEU-75  4.2 4.1 8.7 -1.3 80.4 83.0 -55.4  TYR-74   LEU-75  4.2 4.1 8.7 -1.3 80.4 83.0 -55.4  LEU-75   LEU-76  7.4 7.3 2.9 -9.6 76.4 82.1 23.6  LEU-76   ALA-77  9.2 9.0 83.1 -2.3 81.3 92.7 40.8  PRO-88   GLN-89  24.3 25.6 4.6 -6.7 99.8 99.5 -113.9  GLN-89   TRP-90  24.2 23.8 25.0 7.6 156.5 158.9 -294.3  TRP-90   ALA-91  23.9 24.3 -14.1 9.4 80.6 71.4 14.1  ALA-91   TRP-92  20.8 21.1 0.2 3.2 59.6 61.2 64.6  TRP-92   ASN-93  19.3 19.3 -5.3 0.3 60.8 66.8 12.1  ASN-93   LEU-94  20.1 20.2 12.5 -7.7 145.4 152.6 -13.4  LEU-94   ASN-95  18.4 18.8 -5.4 15.0 104.4 97.3 -47.5 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