Sars-Cov-2 Main Protease

(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
 THR-190   ALA-191  11.6 11.8 17.2 -22.6 86.3 95.7 -7.5
 ALA-191   GLN-192  11.0 11.1 -2.2 -1.1 93.3 96.5 -13.5
 GLN-192   ALA-193  7.7 7.7 -123.3 35.5 79.3 67.3 85.2
 ALA-193   ALA-194  8.1 9.6 -131.0 22.3 77.4 131.3 -224.8
 ALA-194   GLY-195  7.5 10.2 -21.5 133.2 136.1 75.5 76.4
 GLY-195   THR-196  8.7 11.6 -152.3 -39.8 72.5 12.7 -334.2
 THR-196   ASP-197  12.5 11.2 -121.4 -39.2 41.5 59.3 485.7
 ASP-197   THR-198  13.7 14.9 -137.6 63.5 99.3 102.0 -23.0
 THR-198   THR-199  16.7 16.9 -35.9 20.4 21.5 23.7 45.9

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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