Phosphate-Binding Protein Psts 1

(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  LYS-104   VAL-105  3.3 3.0 -10.3 12.4 17.9 19.3 -7.3  VAL-105   ALA-106  4.1 4.3 -0.4 -8.5 41.7 41.2 37.1  ALA-106   VAL-107  1.0 1.3 10.6 4.7 65.9 65.8 35.6 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  SER-233   TYR-234  6.6 7.1 9.7 5.6 72.4 71.6 41.3  TYR-234   GLU-235  2.9 3.4 -1.7 3.2 88.7 90.4 42.7  GLU-235   HIS-236  3.8 4.3 -24.7 21.2 61.0 55.5 13.6 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  ASN-252   PHE-253  13.4 13.9 -13.5 5.7 15.2 16.4 36.2  PHE-253   VAL-254  13.5 13.6 -8.4 5.5 79.8 83.4 21.7  VAL-254   LEU-255  10.1 10.2 -4.5 -3.5 84.3 92.4 14.7  LEU-255   SER-256  9.1 9.0 -9.9 17.1 37.2 44.4 -16.6  SER-256   ASP-257  11.2 11.2 -13.3 -7.8 41.9 48.7 54.3  ASP-257   GLU-258  9.9 9.7 6.6 1.3 128.1 149.7 -9.4  GLU-258   THR-259  10.3 10.4 -6.2 7.8 108.5 94.7 0.3  THR-259   GLN-260  8.7 8.8 2.2 10.0 87.2 84.2 -11.3  GLN-260   GLU-261  5.6 5.7 -6.8 6.8 33.3 30.3 6.7  GLU-261   GLY-262  5.0 5.3 -6.1 3.6 55.1 54.3 11.4  GLY-262   ILE-263  6.0 6.3 8.8 -13.6 64.2 73.8 10.0  ILE-263   VAL-264  6.6 7.1 16.6 -9.3 52.1 49.5 12.1 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