Thioredoxin Reductase

(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
 ALA-111   THR-112  6.5 6.5 2.8 -10.9 124.2 123.9 2.4
 THR-112   GLY-113  3.3 3.3 4.8 16.7 164.9 171.6 -26.7
 GLY-113   ALA-114  5.1 4.9 -41.0 5.4 46.6 46.5 40.3
 ALA-114   SER-115  2.9 4.2 -74.0 43.9 65.9 42.3 25.4
 SER-115   ALA-116  1.3 2.7 -19.4 -19.4 6.3 13.0 58.1

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
 GLY-244   HIS-245  4.5 4.3 -32.1 24.4 40.8 36.2 12.0
 HIS-245   SER-246  3.2 3.8 -18.7 12.0 69.4 56.2 -1.7
 SER-246   PRO-247  4.3 3.2 -38.1 -6.9 10.3 19.7 74.1
 PRO-247   ASN-248  5.1 4.7 -14.3 4.8 61.5 54.0 -1.1
 ASN-248   THR-249  3.1 3.1 -3.0 -10.3 42.6 42.3 16.2

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