Hav 3C Proteinase

(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-134   LEU-135  14.1 13.9 -2.4 6.2 117.2 118.5 1.0
 LEU-135   LYS-136  11.0 10.9 -6.8 -1.7 142.2 140.9 -24.3
 LYS-136   MET-137  9.6 9.8 12.6 7.7 66.9 70.0 21.0
 MET-137   GLU-138  6.9 6.8 14.6 19.1 65.0 77.2 56.3
 GLU-138   GLU-139  6.2 6.0 -23.0 9.5 119.5 135.5 -16.2
 GLU-139   LYS-140  5.2 5.0 -10.4 11.8 56.0 72.6 22.0
 LYS-140   ALA-141  6.8 5.9 41.9 -45.1 149.2 166.3 17.2
 ALA-141   THR-142  6.0 5.9 23.5 -38.7 131.4 111.2 25.7
 THR-142   TYR-143  8.7 8.4 -6.2 8.2 17.3 5.8 -16.8

Downloading Image

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-160   TRP-161  1.5 1.4 -17.5 8.1 108.3 108.7 6.5
 TRP-161   ARG-162  4.8 4.6 -9.3 6.2 141.0 142.5 -5.3
 ARG-162   GLY-163  6.0 6.1 2.4 -1.4 57.5 63.8 -4.3
 GLY-163   LYS-164  8.0 8.4 -10.2 32.5 153.3 155.4 48.6

Downloading Image

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