Thermolysin (E.C.3.4.24.27)

(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  TYR-75   TYR-76  6.8 7.0 -0.6 -6.8 105.8 103.8 -98.6  TYR-76   ALA-77  4.7 4.8 14.8 -14.5 44.2 49.7 -70.9  ALA-77   GLY-78  1.8 1.8 6.1 8.2 26.8 26.0 285.3  GLY-78   VAL-79  4.4 4.5 0.1 -10.4 80.4 74.9 -97.2 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-94   GLY-95  8.8 9.2 -1.1 5.5 25.6 21.7 -192.5  GLY-95   ASN-96  6.7 7.3 7.4 -17.1 128.4 127.5 143.3  ASN-96   ASN-97  6.7 7.0 -1.5 -0.1 114.3 117.4 -127.7  ASN-97   ALA-98  4.7 5.1 12.7 -10.1 52.3 49.8 113.2  ALA-98   ALA-99  7.5 7.8 -19.3 31.9 130.7 134.6 351.5  ALA-99   ILE-100  7.4 8.0 -16.8 5.9 154.8 146.6 -291.5  ILE-100   ARG-101  5.8 6.0 0.9 -1.0 43.6 40.1 -22.9  ARG-101   SER-102  7.8 7.9 4.3 -8.9 27.8 30.1 109.7  SER-102   SER-103  6.6 6.6 0.0 -3.8 130.3 134.2 -197.0 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  TYR-106   SER-107  9.1 9.0 6.1 -8.1 157.1 159.9 67.3  SER-107   GLN-108  10.5 10.5 3.4 3.5 128.9 131.4 -289.8  GLN-108   GLY-109  8.5 8.6 3.9 -6.1 112.0 108.0 241.9  GLY-109   TYR-110  5.3 5.3 -10.0 13.7 119.9 120.1 -77.6  TYR-110   ASN-111  6.5 6.5 5.8 -7.0 67.1 69.1 200.5  ASN-111   ASN-112  5.8 6.0 1.6 1.7 30.6 35.2 90.8  ASN-112   ALA-113  6.9 7.3 0.3 2.9 37.6 37.5 68.0  ALA-113   PHE-114  6.2 6.5 -3.0 8.7 132.4 126.6 -76.4 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