Antithrombin-III

(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
 GLU-377   GLU-378  2.6 2.6 1.2 -0.7 119.2 113.1 4.3
 GLU-378   GLY-379  2.6 3.3 4.8 -2.9 89.6 86.6 0.5
 GLY-379   SER-380  2.7 3.0 13.4 -8.9 111.5 116.7 -1.5
 SER-380   GLU-381  4.9 4.6 6.2 -6.0 167.1 167.0 -0.3
 GLU-381   ALA-382  4.1 3.5 -18.4 12.5 76.7 76.7 -1.9

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
 ARG-399   VAL-400  3.5 4.0 5.2 -13.0 64.2 77.8 -1.2
 VAL-400   CYS-401  1.7 2.4 -71.2 45.8 168.3 151.2 -42.2
 CYS-401   PHE-402  1.6 1.4 -15.6 -15.4 113.6 113.4 -10.0
 PHE-402   LYS-403  4.0 4.2 -12.1 10.7 127.0 123.5 1.9
 LYS-403   ALA-404  6.1 6.0 -17.1 9.3 118.5 116.9 1.8
 ALA-404   ASN-405  8.5 8.3 11.8 -6.1 79.7 74.6 2.3

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