2-Succinylbenzoate--Coa Ligase

(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-382   ARG-383  7.8 8.0 3.7 -4.0 144.0 142.0 -23.5  ARG-383   SER-384  6.7 6.8 7.9 -6.5 112.9 110.7 -2.4  SER-384   ASP-385  7.4 7.6 -9.1 -1.0 116.6 117.9 -33.4  ASP-385   LEU-386  5.9 6.4 10.7 -4.0 95.7 87.5 56.2  LEU-386   ILE-387  2.2 2.7 3.6 4.2 111.7 108.9 -0.6  ILE-387   ILE-388  3.2 3.7 -2.0 -5.3 73.0 64.2 26.6  ILE-388   SER-389  4.3 4.4 -19.7 20.6 92.3 87.8 -64.3  SER-389   GLY-390  8.0 8.0 1.6 -109.1 102.8 108.5 234.3  GLY-390   GLY-391  10.6 8.9 103.1 -19.3 100.7 63.3 90.9 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-405   HIS-406  3.6 4.8 69.5 -25.1 123.6 93.9 -67.2  HIS-406   PRO-407  7.0 7.8 -170.3 -35.3 55.3 19.3 -199.6  PRO-407   ALA-408  8.4 8.5 58.3 138.5 72.0 72.2 608.7  ALA-410   GLU-411  11.0 11.7 -165.1 -53.0 73.6 143.0 288.0  GLU-411   ALA-412  12.1 11.8 172.1 5.5 35.4 49.4 1609.2  ALA-412   GLY-413  11.9 10.0 -10.0 8.2 134.0 156.0 0.1  GLY-413   VAL-414  10.2 10.1 12.6 2.1 28.7 51.9 -2689.8  VAL-414   SER-415  10.0 8.7 -14.0 -5.9 124.7 164.7 2721.2  SER-415   GLY-416  8.8 9.6 26.0 34.5 17.3 58.7 -2444.2  GLY-416   ALA-417  9.5 9.3 -46.9 0.1 122.6 120.0 -74.4  ALA-417   GLU-418  9.0 12.7 50.7 -16.1 68.0 41.5 347.5  GLU-418   ASP-419  12.5 12.9 -6.8 -116.0 142.7 93.3 1053.7  ASP-419   LYS-420  13.4 14.9 42.3 94.2 103.4 76.1 -262.0  GLY-423   LYS-424  10.7 10.6 -53.7 27.7 56.0 60.7 140.4  LYS-424   VAL-425  9.9 9.8 -9.0 13.9 23.3 24.5 -69.6  VAL-425   PRO-426  10.9 11.2 -4.4 2.8 50.7 46.7 -38.8  PRO-426   HIS-427  9.5 9.7 -4.3 -0.9 58.7 57.8 47.3 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