Serine Protease/ntpase/helicase Ns3

(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  SER-328   VAL-329  5.7 4.6 4.9 -21.9 101.9 94.8 -4.0  VAL-329   THR-330  1.9 1.0 -23.7 21.0 110.3 112.2 -1.1  THR-330   VAL-331  3.2 2.8 12.6 -4.7 10.1 8.8 39.3 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-432   THR-433  4.3 5.0 7.7 -32.9 89.5 80.1 -5.3  THR-433   GLN-434  1.6 1.7 12.9 25.5 23.6 40.6 134.8  GLN-434   THR-435  2.5 2.9 4.8 3.0 100.6 112.0 -3.2  THR-435   VAL-436  6.3 6.6 -8.5 13.2 149.6 141.4 9.1 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  GLU-447   THR-448  5.5 6.4 14.3 4.3 43.3 44.5 47.2  THR-448   THR-449  3.4 4.5 14.4 -13.3 69.7 63.3 2.2  THR-449   THR-450  6.1 6.9 35.5 -28.6 32.8 32.4 23.9  THR-450   VAL-451  7.2 7.5 25.0 -14.0 38.9 43.9 22.2 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  PRO-482   SER-483  4.5 4.5 -35.6 77.5 131.9 136.2 101.6  SER-483   GLY-484  4.7 4.3 -7.1 -7.7 83.8 94.5 0.9  GLY-484   MET-485  8.2 7.9 24.5 -7.2 40.8 46.7 47.3 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