Cytosine Deaminase

(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  ASP-65   THR-66  4.4 4.5 0.1 3.3 69.2 68.8 7.8  THR-66   THR-67  3.0 3.2 -2.8 3.3 115.6 115.1 -0.6  THR-67   GLN-68  0.9 0.7 -7.2 1.0 66.1 66.9 26.2  GLN-68   THR-69  3.8 3.6 7.7 -16.7 109.8 110.4 14.3  THR-69   ALA-70  5.0 4.8 11.5 1.9 46.6 45.7 46.8 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  LEU-95   THR-96  5.6 6.0 55.6 -11.5 25.4 16.9 182.4  THR-96   HIS-97  3.6 3.7 -17.7 2.6 84.0 81.8 28.1  HIS-97   ASP-98  2.0 1.9 -0.5 -1.1 70.5 67.6 8.3  ASP-98   ASP-99  2.1 2.2 1.2 2.6 159.7 159.8 -18.2  ASP-99   VAL-100  2.3 2.2 -1.7 -1.8 47.7 47.5 13.8  VAL-100   LYS-101  1.3 1.3 -1.3 1.5 89.9 88.8 4.2 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  ASP-313   ASP-314  6.8 6.9 3.7 -7.1 128.0 128.5 16.1  ASP-314   VAL-315  3.2 3.3 1.6 1.6 81.4 81.7 6.4  VAL-315   PHE-316  2.4 2.3 -8.8 -8.0 62.6 62.6 60.9  PHE-316   ASP-317  3.5 3.0 14.9 -9.8 126.2 131.9 -23.3  ASP-317   PRO-318  3.3 3.4 8.8 3.8 56.4 58.9 17.6  PRO-318   TRP-319  6.7 6.8 1.0 -11.9 35.9 25.5 -46.7  TRP-319   TYR-320  5.9 5.9 9.6 -1.6 43.8 51.1 7.5  TYR-320   PRO-321  2.8 2.9 8.4 -1.9 115.2 112.5 -15.1  PRO-321   LEU-322  4.7 4.8 7.8 -17.7 78.5 81.0 -11.8  LEU-322   GLY-323  4.5 4.4 2.7 4.0 115.0 114.5 -15.6  GLY-323   THR-324  5.5 5.4 -0.4 -1.4 52.7 54.4 2.8 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