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  GLN-314   THR-315  13.2 11.0 7.2 -3.7 86.2 98.7 3.0  THR-315   SER-316  10.0 8.3 134.6 -61.8 30.4 44.5 94.6  SER-316   ASN-317  7.9 7.5 -26.6 15.6 79.3 145.6 -0.8  ASN-317   PHE-318  8.7 8.3 -59.0 4.1 76.1 100.1 26.5 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  LYS-529   SER-530  30.2 31.0 66.1 142.1 68.7 38.1 319.7  SER-530   THR-531  29.3 32.1 -104.7 95.4 153.9 129.8 -30.0  THR-531   ASN-532  29.9 29.9 -59.5 -56.0 93.3 125.4 -121.4  ASN-532   LEU-533  30.4 30.4 30.2 2.8 87.1 38.2 21.4  LEU-533   VAL-534  28.4 29.0 168.6 -55.4 27.4 120.4 106.6  VAL-534   LYS-535  27.0 28.9 21.7 -17.8 98.2 108.0 2.3  LYS-535   ASN-536  26.5 31.4 -70.2 107.9 148.5 56.6 20.8  ASN-536   LYS-537  25.1 30.9 135.0 88.7 45.1 50.4 -166.7  LYS-537   CYS-538  22.6 30.1 11.8 19.3 115.7 91.5 5.9 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  THR-573   ASP-574  13.9 16.5 -1.7 -1.4 53.7 47.9 7.7  ASP-574   ALA-575  17.1 19.7 -21.2 -34.1 89.9 95.8 12.1  ALA-575   VAL-576  20.0 21.8 18.2 20.2 58.8 17.2 51.6  VAL-576   ARG-577  21.0 23.5 -35.1 28.0 99.9 87.6 44.9  ARG-577   ASP-578  24.1 27.0 36.0 -25.5 108.4 68.5 1.6  ASP-578   PRO-579  26.3 30.3 15.9 -24.8 38.3 39.7 -47.4  PRO-579   GLN-580  27.1 32.9 24.7 -52.8 86.7 118.1 25.9  GLN-580   THR-581  30.8 34.7 10.3 25.6 85.6 164.6 -98.1  THR-581   LEU-582  32.0 32.6 83.0 -27.1 73.6 132.6 -8.8  LEU-582   GLU-583  30.1 31.4 -134.1 168.2 63.2 94.2 120.0  GLU-583   ILE-584  29.6 27.6 -66.5 -40.9 75.7 77.0 -142.1  ILE-584   LEU-585  26.7 26.8 -2.3 8.0 8.6 61.7 -5.1 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