3-Dehydroquinate Synthase

(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-183   PRO-184  2.9 2.9 -9.2 22.0 124.1 120.2 64.3  PRO-184   VAL-185  6.0 5.8 -14.1 11.7 57.1 58.5 6.3  VAL-185   ARG-186  9.2 9.0 -16.3 15.2 56.7 53.3 8.8 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

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  GLU-229   HIS-230  14.5 14.6 -12.2 15.4 119.5 130.5 12.6  HIS-230   ARG-231  12.1 12.8 -26.3 22.7 95.9 96.5 -5.0  ARG-231   PHE-232  10.6 11.1 -7.7 0.0 140.5 132.6 -14.6  PHE-232   GLU-233  12.1 12.9 9.0 -33.7 81.7 78.0 47.2 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-247   ARG-248  3.7 3.8 12.7 -3.1 7.7 19.2 83.8  ARG-248   HIS-249  4.6 4.4 5.7 -4.5 56.2 48.5 -11.4  HIS-249   LYS-250  6.7 6.2 -4.3 8.6 89.9 90.3 25.7  LYS-250   ALA-251  5.7 5.3 -4.6 -1.8 129.1 127.7 -18.0  ALA-251   TYR-252  2.4 2.0 1.5 -3.6 15.6 11.5 -16.7  TYR-252   VAL-253  4.0 3.2 11.3 -6.9 75.8 68.2 23.3  VAL-253   VAL-254  7.0 6.2 9.5 -3.3 87.0 83.8 36.6  VAL-254   SER-255  6.7 5.9 0.7 -6.8 34.2 33.0 -38.5  SER-255   ALA-256  4.6 3.8 14.7 -6.3 35.1 33.2 64.1 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