Lipase

(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  CYS-60   MET-61  2.6 2.7 5.4 -1.7 136.3 136.5 -4.1  MET-61   GLN-62  3.8 4.1 -10.3 10.8 27.4 24.9 -1.1  GLN-62   GLN-63  2.3 2.7 6.1 -8.3 140.4 137.5 2.0  GLN-63   ASN-64  4.0 4.3 -7.5 -4.5 53.2 53.4 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  GLU-70   GLU-71  12.3 10.8 -172.3 0.0 63.7 140.4 -19.4  GLU-71   ASN-72  13.0 11.8 -139.9 40.7 128.9 142.3 -94.9  ASN-72   LEU-73  11.3 10.5 -175.1 -34.2 58.5 82.2 -17.7  LEU-73   PRO-74  11.9 12.5 -172.8 -14.0 51.9 91.2 161.5  PRO-74   LYS-75  8.6 16.2 178.7 28.9 147.1 159.4 -238.4  LYS-75   ALA-76  8.7 18.4 10.5 -7.0 126.3 117.0 -4.9  ALA-76   ALA-77  12.2 19.6 -7.0 6.3 61.8 69.5 -4.6 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  PHE-87   GLU-88  11.5 5.8 66.3 -63.9 141.6 113.1 -0.7  GLU-88   ALA-89  10.2 5.4 -164.3 -14.4 41.3 39.6 216.0  ALA-89   VAL-90  11.9 3.5 -179.9 -3.0 95.2 37.8 -122.9  VAL-90   SER-91  11.5 4.7 -178.8 -7.6 97.9 57.3 -98.8  SER-91   PRO-92  7.8 6.2 73.5 -1.4 111.0 147.9 133.6  PRO-92   SER-93  6.1 5.9 19.5 -3.5 79.2 85.2 1.9  SER-93   SER-94  3.1 3.2 1.4 -1.6 124.2 126.6 2.1  SER-94   GLU-95  4.2 4.5 -1.7 -1.1 98.5 94.2 0.2  GLU-95   ASP-96  6.3 6.5 3.5 -2.7 144.4 141.3 -1.9  ASP-96   CYS-97  5.0 5.2 -6.8 6.9 101.8 102.7 0.7 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