Antithrombin

(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  9.0 9.1 -1.1 17.0 81.1 69.9 -4.2
 GLU-377   GLU-378  11.1 11.0 -18.3 7.1 58.6 55.3 2.5
 GLU-378   GLY-379  8.6 8.5 5.2 -21.1 57.9 66.9 -5.5
 GLY-379   SER-380  5.9 5.4 -3.5 42.5 125.6 111.1 15.1

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
 ARG-399   VAL-400  20.8 25.7 134.1 73.6 98.4 99.7 26.6
 VAL-400   THR-401  20.0 23.0 96.3 -30.5 37.4 49.3 51.2
 THR-401   PHE-402  17.8 19.5 -20.9 -13.7 63.9 70.2 -8.8
 PHE-402   LYS-403  17.3 15.8 -22.1 -8.9 57.1 109.0 -15.1
 LYS-403   ALA-404  15.4 14.9 21.7 -16.7 87.3 105.6 -3.5
 ALA-404   ASN-405  15.1 11.7 170.6 73.0 139.4 93.1 -128.6
 ASN-405   ARG-406  13.5 14.1 -128.6 153.6 107.8 34.2 -23.5
 ARG-406   PRO-407  11.4 11.9 81.4 52.3 44.1 79.0 40.4
 PRO-407   PHE-408  8.1 8.5 -22.9 -14.9 85.6 91.8 2.7
 PHE-408   LEU-409  5.8 5.7 2.9 4.1 67.2 70.3 3.1
 LEU-409   VAL-410  2.3 2.1 21.4 -26.7 29.7 20.5 -3.0

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