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  PHE-329   PRO-330  3.2 3.0 5.6 -2.7 59.4 64.7 14.7  PRO-330   ASN-331  5.9 5.5 17.5 -0.1 9.0 3.9 98.6  ASN-331   ILE-332  6.5 6.8 12.6 -22.1 63.2 72.1 -91.6  ILE-332   THR-333  6.1 6.2 0.8 1.3 51.8 43.4 42.5  THR-333   ASN-334  4.4 5.2 -21.3 -8.0 119.6 113.6 -93.5  ASN-334   LEU-335  7.4 8.2 -34.5 33.0 70.6 69.1 53.5 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  PHE-515   GLU-516  15.0 15.3 -18.2 26.1 159.9 160.6 21.8  GLU-516   LEU-517  12.7 13.3 15.6 2.4 98.6 98.5 34.0  LEU-517   LEU-518  9.2 9.8 -150.0 134.9 131.1 106.9 -170.7  LEU-518   HIS-519  6.0 7.7 92.4 -29.1 50.0 69.9 164.8  HIS-519   ALA-520  8.0 10.0 -118.7 54.8 62.3 65.9 196.2  ALA-520   PRO-521  10.4 11.5 -18.4 19.3 32.3 24.3 -141.5  PRO-521   ALA-522  10.1 9.7 12.3 57.5 133.3 129.0 -302.0  ALA-522   THR-523  9.0 7.5 157.8 -171.0 162.9 138.3 185.3  THR-523   VAL-524  9.8 9.5 23.2 -52.5 121.9 126.1 40.1 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

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  5.4 5.4 14.8 8.4 123.6 143.0 -91.7  PRO-527   LYS-528  4.7 5.1 -78.0 60.0 106.6 94.9 40.4  LYS-528   LYS-529  4.5 4.7 15.9 -49.7 91.3 95.3 58.0  LYS-529   SER-530  4.9 4.0 28.2 3.0 40.9 61.9 146.3  SER-530   THR-531  6.2 6.5 -2.5 17.5 83.7 77.7 -81.5  THR-531   ASN-532  9.9 10.2 19.4 -33.1 68.8 70.5 -59.8 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