Protease/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  PRO-325   PRO-326  6.2 6.1 -20.4 8.1 64.4 63.8 52.1  PRO-326   GLY-327  4.1 4.1 15.8 -19.7 56.6 58.5 -1.8  GLY-327   SER-328  0.9 1.1 4.0 7.7 79.6 76.5 16.0 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  CYS-431   VAL-432  5.5 5.5 5.2 -3.2 59.3 57.9 10.6  VAL-432   THR-433  2.8 3.0 3.9 -11.9 111.2 110.7 11.0  THR-433   GLN-434  0.8 1.1 9.3 3.3 56.4 61.5 23.1 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  6.2 6.5 -14.3 30.6 135.7 130.2 61.7  THR-448   THR-449  3.5 3.1 -35.0 5.2 105.5 96.1 17.0  THR-449   THR-450  5.0 4.9 4.5 30.4 66.6 47.2 162.6 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  SER-483   GLY-484  1.4 1.1 1.2 -14.2 106.3 102.1 15.1  GLY-484   MET-485  4.0 3.7 -14.6 34.0 117.0 111.2 24.1  MET-485   PHE-486  5.2 4.7 24.0 -17.4 18.0 19.2 36.2 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