Aspartate Aminotransferase

(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  MET-33   ASN-34  15.4 15.2 5.6 -3.9 44.6 50.2 18.4  ASN-34   LEU-35  14.0 13.6 -2.3 6.2 98.0 101.6 22.1  LEU-35   GLY-36  10.7 10.4 -3.2 -37.3 140.0 130.7 -168.8  GLY-36   VAL-37  11.7 11.1 68.1 28.1 88.0 123.3 -175.6  VAL-37   GLY-38  10.8 10.7 -23.4 -32.0 50.0 97.0 10.1  GLY-38   ALA-39  7.9 9.9 -69.2 -5.0 25.3 37.9 452.4  ALA-39   TYR-40  9.1 9.6 35.8 3.7 133.5 122.7 -103.6  TYR-40   ARG-41  7.0 6.8 13.7 -12.8 133.5 127.5 27.9  ARG-41   ASP-42  8.1 7.6 2.4 -6.8 131.9 127.3 36.8 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  ALA-327   ASP-328  4.1 4.5 -4.9 -2.1 98.3 98.6 -8.0  ASP-328   ARG-329  4.9 5.2 17.7 -4.6 95.9 95.1 50.8  ARG-329   ILE-330  3.0 2.9 0.5 -6.5 162.6 161.4 11.3  ILE-330   ILE-331  2.3 2.5 -6.3 1.8 72.0 67.9 1.8 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  GLN-356   ILE-357  5.8 6.3 4.6 -5.4 149.8 153.1 -27.3  ILE-357   GLY-358  5.1 5.6 -21.2 -3.4 88.7 84.7 74.0  GLY-358   MET-359  3.5 3.5 -6.5 10.9 72.2 86.5 20.0  MET-359   PHE-360  2.2 2.0 -7.8 2.6 124.1 141.6 -55.3  PHE-360   CYS-361  2.0 1.8 -30.6 2.4 106.8 111.7 -31.2  CYS-361   PHE-362  3.5 2.7 -21.3 28.0 154.2 148.5 37.9 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