Spectinomycin Phosphotransferase

(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  LEU-53   LYS-54  15.0 15.1 -39.2 41.7 25.8 20.9 -27.7  LYS-54   TYR-55  15.3 14.4 28.0 -68.9 117.0 126.0 106.0  TYR-55   GLY-56  18.4 16.7 -133.0 172.6 38.6 22.6 -161.0  GLY-56   TYR-57  18.3 14.2 26.0 9.7 82.2 120.2 -36.4  TYR-57   HIS-58  17.9 13.3 -47.3 0.4 43.6 88.9 75.6  HIS-58   ASP-59  15.3 9.5 -153.5 15.5 114.6 152.3 -363.5  ASP-59   GLU-60  11.9 9.3 -156.4 11.8 93.9 91.8 256.8  GLU-60   ILE-61  9.3 9.7 -162.8 -17.2 77.4 61.4 278.7  ILE-61   ASN-62  5.9 7.0 8.2 -22.6 35.3 59.6 -49.9  ASN-62   LEU-63  4.4 4.4 10.7 2.1 63.2 37.1 41.5  LEU-63   SER-64  6.6 5.7 9.5 1.8 121.0 111.8 -24.3 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  ILE-78   PHE-79  1.9 0.9 8.4 5.9 65.5 69.7 34.4  PHE-79   PRO-80  3.7 3.6 -22.6 5.3 57.8 63.6 65.1  PRO-80   ILE-81  5.7 5.7 4.1 -19.7 129.1 129.9 41.3 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  ALA-99   TYR-100  9.1 8.9 13.0 -9.8 84.1 90.8 -7.6  TYR-100   PRO-101  5.4 5.2 6.3 0.2 15.7 17.1 33.6  PRO-101   PHE-102  3.7 3.4 14.9 -6.1 91.5 91.8 -2.6 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