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  2.7 2.6 0.1 3.2 43.6 44.4 -0.7  MET-61   GLN-62  4.0 3.8 5.7 -3.2 24.9 27.0 -1.9  GLN-62   GLN-63  2.5 2.4 6.9 -7.9 42.5 41.1 3.6  GLN-63   ASN-64  4.2 3.9 5.4 -1.8 53.5 49.5 8.0 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  10.9 12.3 175.1 -6.7 140.3 62.6 -27.4  GLU-71   ASN-72  11.8 13.1 134.4 -40.2 142.4 128.8 -86.1  ASN-72   LEU-73  10.6 11.6 -175.9 32.9 97.8 123.7 -9.0  LEU-73   PRO-74  12.6 12.0 170.0 4.0 91.1 47.5 146.0  PRO-74   LYS-75  16.4 9.0 -174.7 -24.5 159.5 144.4 -228.2  LYS-75   ALA-76  18.5 8.9 -11.4 9.7 117.0 125.2 -4.4  ALA-76   ALA-77  19.7 12.4 -1.9 5.0 110.4 119.2 -3.3 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  6.0 11.7 -63.5 50.5 113.2 140.2 -8.1  GLU-88   ALA-89  5.5 10.2 -174.4 -0.6 140.3 146.8 222.3  ALA-89   VAL-90  3.6 12.0 174.7 10.9 37.7 93.5 -122.2  VAL-90   SER-91  4.7 11.7 175.7 7.9 57.3 97.4 -98.2  SER-91   PRO-92  6.2 8.0 -69.4 0.0 148.0 106.7 135.1  PRO-92   SER-93  5.8 6.1 -22.8 10.0 85.1 80.1 2.4  SER-93   SER-94  3.1 3.3 -10.4 6.0 126.6 125.6 -1.1  SER-94   GLU-95  4.3 4.0 -1.2 2.1 85.7 85.7 7.1  GLU-95   ASP-96  6.5 6.2 -4.0 -2.1 141.2 141.9 -3.4  ASP-96   CYS-97  5.1 5.0 5.1 -4.1 102.7 104.3 -1.2 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