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  6.4 6.4 4.7 -12.0 124.4 124.6 6.4
 THR-112   GLY-113  3.2 3.2 1.9 23.3 165.0 171.2 -32.8
 GLY-113   ALA-114  5.0 4.8 -42.7 4.7 46.7 47.5 44.8
 ALA-114   SER-115  2.9 4.1 -72.5 41.1 65.6 44.3 26.5
 SER-115   ALA-116  1.3 2.8 -16.3 -18.5 6.4 12.2 51.3

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


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  4.4 4.2 -29.8 23.6 40.9 36.9 7.8
 HIS-245   SER-246  3.1 3.6 -19.6 15.7 69.2 56.4 -1.2
 SER-246   PRO-247  4.2 3.1 -34.5 -6.7 10.6 21.5 70.0
 PRO-247   ASN-248  5.0 4.6 -9.1 0.1 61.6 53.8 -2.1
 ASN-248   THR-249  3.1 3.0 -5.5 -14.4 42.3 42.7 23.8

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