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  11.3 11.3 10.7 -9.3 55.6 59.3 0.1
 GLU-378   GLY-379  8.8 9.0 6.9 14.0 113.4 119.7 -7.4
 GLY-379   SER-380  5.8 6.5 5.5 -45.6 111.3 124.0 13.2
 SER-380   GLU-381  2.5 3.2 43.1 153.6 40.6 64.1 68.7

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
 CYS-401   PHE-402  20.1 16.7 19.3 -0.8 69.9 70.6 -6.6
 PHE-402   LYS-403  16.3 17.0 -4.7 55.9 71.0 119.2 -19.1
 LYS-403   ALA-404  15.3 15.2 25.2 -28.0 74.2 111.6 0.0
 ALA-404   ASN-405  12.1 14.2 174.4 -65.1 87.0 44.2 -108.2
 ASN-405   ARG-406  14.3 13.1 126.4 -162.9 34.0 102.1 -30.4
 ARG-406   PRO-407  12.1 11.3 -92.0 -30.4 79.4 46.2 35.8
 PRO-407   PHE-408  8.6 8.0 37.6 -3.5 91.6 89.7 3.3
 PHE-408   LEU-409  6.0 5.9 -8.8 0.8 70.7 65.5 3.6
 LEU-409   VAL-410  2.5 2.6 -7.5 3.5 20.5 27.5 4.1

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