Spike Glycoprotein

(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-330   ASN-331  8.8 12.7 -13.4 37.7 94.0 103.3 4.3  ASN-331   ILE-332  10.1 12.6 57.1 54.1 29.9 31.2 144.9  ILE-332   THR-333  8.0 9.9 -8.7 -29.3 73.9 150.3 -49.1  THR-333   ASN-334  9.4 10.7 -4.3 -19.9 115.7 137.4 -19.9  ASN-334   LEU-335  8.3 7.6 -80.2 12.1 71.9 77.2 48.7  LEU-335   CYS-336  7.1 6.8 -21.9 16.7 136.1 141.5 -16.5 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

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  GLY-526   PRO-527  1.3 1.3 -0.5 3.4 102.1 106.6 -1.0  PRO-527   LYS-528  4.7 3.8 98.4 4.4 35.2 25.1 142.9  LYS-528   LYS-529  4.3 4.5 -33.6 17.2 81.5 111.5 -1.6  LYS-529   SER-530  7.7 6.8 30.7 -75.0 68.1 62.5 -32.3  SER-530   THR-531  9.4 9.8 -8.9 1.5 135.5 133.0 0.6  THR-531   ASN-532  12.0 11.8 -14.6 8.9 81.0 96.5 12.6  ASN-532   LEU-533  15.5 15.5 -7.3 1.5 104.2 111.8 4.1 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