Carbamoyl Phosphate Synthetase

(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  PRO-690   ALA-691  3.8 3.9 -29.0 21.2 38.5 44.9 19.0  ALA-691   ASN-692  1.3 1.3 17.9 18.9 70.7 68.8 72.9  ASN-692   ALA-693  2.4 2.6 6.3 -20.5 143.0 132.4 42.8 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  VAL-714   ARG-715  8.1 8.0 12.3 -7.6 106.3 119.4 5.2  ARG-715   PRO-716  9.2 9.3 -1.2 7.1 118.5 121.1 -9.6  ALA-724   MET-725  13.3 12.2 87.2 0.8 63.1 53.9 195.8  MET-725   GLU-726  9.7 8.8 35.1 -6.0 114.2 106.3 -90.3  GLU-726   ILE-727  8.2 7.8 1.4 -29.2 55.6 62.9 -35.4  ILE-727   VAL-728  6.1 6.1 -19.1 15.8 101.8 98.6 8.9 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  LEU-752   ASP-753  6.4 6.2 25.2 -24.2 84.9 86.2 49.5  ASP-753   HIS-754  2.9 2.6 9.6 -8.6 111.2 112.6 -11.2  HIS-754   PHE-755  1.9 2.3 0.3 -11.8 147.5 151.2 49.4  PHE-755   LEU-756  2.4 2.4 -5.3 12.0 91.5 85.9 38.5  LEU-756   ASP-757  4.6 4.9 -3.8 -0.1 28.3 26.6 -4.7  ASP-757   ASP-758  7.0 6.8 -5.4 3.4 75.3 72.5 -6.2  ASP-758   ALA-759  9.4 9.0 8.7 -5.9 66.2 65.4 14.1  ALA-759   VAL-760  9.1 9.2 8.7 -4.6 136.2 135.6 -29.8  VAL-760   GLU-761  10.6 10.7 -4.8 -0.3 106.4 112.2 0.5  GLU-761   VAL-762  9.8 9.8 2.4 -4.6 101.0 106.0 -0.2  VAL-762   ASP-763  13.2 13.2 12.2 -8.4 78.5 73.2 4.4  ASP-763   VAL-764  14.9 15.0 2.0 2.5 76.6 80.7 3.4 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