Trypanothione Reductase (E.C.1.6.4.8)

(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-54   VAL-55  8.7 8.7 2.4 -2.3 145.8 150.0 12.5
 VAL-55   GLY-56  6.8 7.0 5.7 -6.2 75.0 76.5 165.9
 GLY-56   CYS-57  3.6 3.7 -4.8 1.5 94.2 93.1 1.9

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
 ALA-94   LEU-95  13.9 13.9 -7.0 5.3 35.4 36.5 81.5
 LEU-95   ILE-96  11.0 10.8 -3.9 -14.0 56.0 59.2 489.1
 ILE-96   ALA-97  10.7 10.4 30.8 -16.8 117.6 109.8 -214.0

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


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
 LEU-157   LEU-158  15.9 15.8 0.3 -10.1 169.8 168.6 285.2
 LEU-158   ALA-159  16.6 16.7 9.8 -20.7 117.9 116.6 -103.5
 ALA-159   THR-160  13.5 13.6 3.4 -7.5 162.4 157.2 80.3

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
 ALA-284   ILE-285  11.1 11.1 -6.0 13.3 71.8 74.4 -176.1
 ILE-285   GLY-286  14.6 14.7 -32.2 29.1 15.7 11.4 66.2
 GLY-286   ARG-287  14.5 14.6 21.2 -19.7 114.1 113.3 -96.8

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


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-364   ALA-365  10.6 10.4 13.5 -24.5 142.2 146.1 349.8
 ALA-365   VAL-366  10.2 10.1 -2.2 3.8 39.0 36.2 -231.2
 VAL-366   PHE-367  9.6 9.5 -6.7 9.4 60.7 60.3 -52.9

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