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
 ASP-441   PRO-442  18.9 19.0 -4.7 0.7 117.1 114.7 -42.6
 PRO-442   THR-443  20.3 20.2 -10.5 14.6 130.8 133.0 120.3
 THR-443   PHE-444  18.6 18.7 -9.3 11.3 120.7 119.6 41.8

Downloading Image

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-450   VAL-451  22.6 22.6 -4.0 0.5 103.1 98.3 34.4
 VAL-451   PRO-452  20.3 20.5 15.7 -7.9 146.0 145.1 -278.5
 PRO-452   GLN-453  20.7 20.5 -3.4 -4.1 47.0 46.6 210.5
 GLN-453   ASP-454  19.0 18.8 -6.6 9.1 89.0 87.8 38.1
 ASP-454   ALA-455  15.7 15.5 -14.0 13.6 26.1 21.8 20.7
 ALA-455   VAL-456  14.9 15.0 -8.0 4.1 39.1 41.8 57.1
 VAL-456   SER-457  13.4 13.4 -1.0 4.8 71.4 77.2 -56.8

Downloading Image

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  9.8 9.6 28.8 -11.6 84.2 93.3 -3.4
 GLY-484   MET-485  6.1 5.9 -20.9 6.9 47.5 48.7 212.2
 MET-485   PHE-486  5.9 5.7 -10.5 10.8 77.6 77.7 -8.1

Downloading Image

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