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
 ASN-376   GLU-377  11.2 11.6 9.2 9.9 114.6 98.0 -1.2
 GLU-377   GLU-378  9.9 10.6 -10.9 -39.0 130.8 140.1 -42.8
 GLU-378   GLY-379  9.2 9.9 167.5 3.1 87.8 69.0 63.2
 GLY-379   SER-380  6.6 7.5 46.2 85.2 89.9 74.5 149.1

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


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-397   ASN-398  7.8 6.8 -139.2 150.2 70.6 68.3 -0.2
 ASN-398   ARG-399  6.8 5.8 -51.6 -105.9 49.5 61.1 131.7
 ARG-399   VAL-400  3.6 2.6 -2.7 64.2 92.7 79.4 3.1
 VAL-400   THR-401  2.9 1.8 90.3 -68.5 120.7 166.4 -27.4
 THR-401   PHE-402  3.0 3.1 -10.1 59.5 58.2 61.8 -29.8
 PHE-402   LYS-403  5.6 4.9 35.2 -26.8 102.8 103.3 3.5
 LYS-403   ALA-404  8.2 8.2 30.4 -17.3 112.6 118.6 0.2

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