Putative Coronavirus Nsp2 (3Cl-Pro)

(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-3   ARG-4  2.6 2.5 11.4 11.4 95.9 94.5 46.4  ARG-4   LYS-5  2.4 2.3 4.1 -6.7 118.8 129.4 32.3  LYS-5   MET-6  4.3 4.2 5.8 -5.4 53.5 56.1 26.0 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  VAL-197   MET-198  1.8 2.3 6.8 -19.6 159.7 159.7 108.5  MET-198   SER-199  2.6 2.6 3.3 9.2 94.5 95.8 -12.9  SER-199   SER-200  3.1 2.8 -3.5 -1.7 65.3 67.0 8.4 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  TRP-232   ALA-233  12.8 12.7 -6.0 -0.1 103.1 104.1 51.6  ALA-233   LYS-234  9.4 9.3 -1.9 -8.6 41.6 40.8 95.8  LYS-234   THR-235  7.7 7.7 20.6 -18.8 108.9 123.7 -21.5  THR-235   ASN-236  9.1 9.1 15.2 -18.6 44.6 52.7 -78.1  ASN-236   SER-237  9.0 9.1 9.8 -2.5 60.7 58.8 34.9  SER-237   PHE-238  5.4 5.5 -9.9 11.1 149.4 152.0 18.0  PHE-238   THR-239  5.3 5.3 4.1 -3.4 111.1 112.0 -70.8  THR-239   GLU-240  5.6 5.3 5.9 11.2 88.5 81.7 59.3  GLU-240   LEU-241  9.3 9.0 15.0 -3.3 39.7 22.0 117.4  LEU-241   SER-242  11.5 10.7 9.6 -4.7 105.3 101.0 -59.0  SER-242   SER-243  13.6 12.4 16.8 -7.7 80.2 84.3 52.7  SER-243   THR-244  16.3 15.5 -37.9 29.1 153.7 144.0 -94.1  THR-244   ASP-245  16.7 16.5 -17.3 -6.9 135.7 142.1 -207.5 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