Dermonecrotic Toxin

(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  PRO-579   TYR-580  2.8 3.2 -30.5 1.7 120.8 129.6 -71.3  TYR-580   SER-581  5.6 5.7 2.8 -9.2 30.9 31.7 -29.7  SER-581   PRO-582  3.4 3.4 -6.5 11.4 88.2 89.8 -28.2  PRO-582   PHE-583  5.8 6.0 -5.7 5.8 87.8 85.5 17.6  PHE-583   ARG-584  4.8 4.9 0.1 -6.8 145.5 146.1 -9.4 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

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  GLN-1098   VAL-1099  13.1 13.2 12.4 -9.9 80.9 82.2 23.8  VAL-1099   LEU-1100  9.6 9.6 4.5 -14.6 152.1 153.4 77.2  LEU-1100   THR-1101  7.5 7.3 14.4 15.3 97.2 90.2 60.5  THR-1101   PRO-1102  4.4 4.0 7.2 -0.2 69.6 99.4 7.2  PRO-1102   PRO-1103  7.0 5.3 34.6 -12.0 30.7 34.6 149.5  PRO-1103   GLN-1104  7.2 8.1 -12.7 -27.1 102.2 116.4 -197.5  GLN-1104   GLY-1105  9.0 9.1 -32.1 4.7 29.2 64.6 134.6  GLY-1105   LYS-1106  9.4 9.0 72.7 -20.3 127.6 138.6 -395.2 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  PHE-1276   THR-1277  10.3 10.3 12.0 -20.0 54.8 49.0 -22.5  THR-1277   LYS-1278  8.5 8.6 -1.0 11.2 142.9 136.2 21.6  LYS-1278   PRO-1279  11.4 11.7 10.1 1.5 33.5 35.3 112.5 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