Thioredoxin Glutathione 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
 VAL-20   ILE-21  6.2 6.2 -7.3 7.0 74.5 75.4 -18.3
 ILE-21   LEU-22  3.3 3.3 0.8 0.4 102.7 102.3 -7.9
 LEU-22   PHE-23  0.5 0.5 -1.8 1.8 51.4 51.1 19.5
 PHE-23   SER-24  2.8 2.8 -2.6 6.8 103.4 104.2 171.0
 SER-24   LYS-25  6.3 6.3 -2.6 -1.9 68.6 67.7 93.9

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-29   TYR-30  14.1 14.1 7.1 0.1 94.6 93.4 -17.2
 TYR-30   CYS-31  12.2 12.2 0.3 -1.0 101.0 102.0 -61.9
 CYS-31   LYS-32  8.8 8.9 -0.6 -0.1 12.2 10.9 36.0
 LYS-32   LYS-33  9.8 9.9 1.0 -0.3 121.2 120.6 -9.0
 LYS-33   VAL-34  10.5 10.6 -1.0 -0.8 88.8 88.4 74.2
 VAL-34   LYS-35  7.4 7.4 0.6 0.1 127.4 127.0 -8.4
 LYS-35   ASP-36  5.3 5.4 2.0 -2.6 165.3 165.1 24.6
 ASP-36   VAL-37  7.1 7.1 0.2 1.4 104.2 104.4 -67.9

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
 HIS-45   ALA-46  4.0 3.9 0.0 -4.4 112.3 111.9 41.0
 ALA-46   THR-47  5.2 5.2 -0.4 0.2 70.1 67.4 -23.2
 THR-47   ILE-48  4.7 4.7 -2.3 1.1 43.0 43.1 58.7

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-62   LEU-63  1.1 1.1 -5.7 -0.4 46.2 47.5 157.4
 LEU-63   ALA-64  1.6 1.5 -0.4 1.3 107.6 108.0 54.5
 ALA-64   SER-65  4.8 4.8 -0.5 -3.6 115.3 113.0 -39.6
 SER-65   PHE-66  4.6 4.7 4.0 -3.0 136.5 136.6 -105.8
 PHE-66   SER-67  5.9 5.9 2.2 -3.9 119.7 120.5 116.9
 SER-67   LYS-68  7.2 7.2 0.7 -4.0 59.2 59.1 -62.8
 LYS-68   ILE-69  8.6 8.6 -0.8 0.9 76.5 75.5 18.2
 ILE-69   GLU-70  8.3 8.3 4.3 -1.2 89.3 90.6 4.5
 GLU-70   THR-71  7.3 7.3 -17.6 17.1 41.6 38.2 -100.7
 THR-71   VAL-72  9.0 9.2 2.6 -1.5 141.1 141.0 -31.2
 VAL-72   PRO-73  8.0 8.1 1.0 -1.0 136.7 137.3 -63.3
 PRO-73   GLN-74  6.8 6.8 1.5 3.4 63.2 61.3 103.1
 GLN-74   MET-75  4.7 4.7 -1.5 1.3 54.1 53.5 26.2

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