3-Phosphoglycerate Kinase

(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  ALA-201   LYS-202  3.7 3.2 14.1 -10.8 71.8 84.6 -7.9  LYS-202   VAL-203  6.9 6.8 -0.6 16.4 107.1 98.1 26.8  VAL-203   LEU-204  6.9 7.2 1.5 -7.6 131.7 151.9 7.6 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-218   LYS-219  21.9 22.8 90.6 -175.7 24.6 30.5 -306.1  LYS-219   VAL-220  21.6 23.4 103.2 -16.3 54.9 50.4 154.5  VAL-220   SER-221  22.7 22.4 18.5 6.6 2.6 45.7 90.3  SER-221   ASP-222  23.5 22.4 -4.5 12.2 114.9 84.5 -15.5  ASP-222   LYS-223  20.0 19.4 25.0 -49.6 104.6 83.9 3.8  LYS-223   ILE-224  18.1 17.4 40.9 15.2 67.1 32.9 133.5  ILE-224   GLN-225  20.4 18.2 -18.3 10.1 155.4 112.6 -17.5  GLN-225   LEU-226  18.9 14.6 -29.0 24.2 90.3 58.5 0.0  LEU-226   LEU-227  15.5 13.1 -27.2 -0.9 80.3 91.4 -12.4  LEU-227   ASP-228  17.1 16.1 -1.0 -0.2 141.7 152.9 -10.3  ASP-228   ASN-229  17.9 15.9 -1.8 6.0 104.0 96.9 9.8 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  HIS-393   VAL-394  1.6 1.8 -12.0 10.6 84.1 89.8 5.8  VAL-394   SER-395  3.9 3.3 4.3 17.6 49.7 45.8 48.9  SER-395   THR-396  5.3 4.5 -7.4 -12.2 84.1 72.5 36.5 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