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
 HIS-39   HIS-40  18.1 17.8 6.1 -7.8 138.1 139.0 -29.4
 HIS-40   GLY-41  15.3 15.0 -3.1 -33.7 26.3 21.5 672.7
 GLY-41   PRO-42  16.2 15.4 15.5 1.6 117.3 108.1 -491.9

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-43   HIS-44  19.9 19.8 -4.0 15.2 59.3 64.3 -28.2
 HIS-44   TYR-45  18.4 18.4 -18.8 15.2 77.7 82.8 -65.3
 TYR-45   ALA-46  14.9 14.7 -11.2 2.1 13.5 18.3 184.0
 ALA-46   ALA-47  14.3 14.0 0.1 -3.8 117.9 117.2 119.3
 ALA-47   LEU-48  16.2 16.1 -12.7 2.7 24.2 17.3 220.4
 LEU-48   GLY-49  15.4 16.1 -1.2 12.8 93.0 88.0 -62.0
 GLY-49   GLY-50  11.7 12.4 -18.6 37.3 128.9 116.0 239.2
 GLY-50   THR-51  12.3 11.9 -6.9 -16.8 140.7 153.2 -444.6

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
 VAL-55   GLY-56  8.4 8.5 -0.9 7.1 99.5 95.6 32.9
 GLY-56   CYS-57  5.5 5.7 -0.2 0.3 108.7 104.0 -24.9
 CYS-57   VAL-58  2.4 2.4 -7.5 15.9 91.4 92.2 3.9

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
 ASN-68   TYR-69  11.7 11.5 11.3 -3.6 73.1 73.8 93.1
 TYR-69   MET-70  14.7 14.3 4.1 -6.3 18.9 20.7 71.2
 MET-70   ASP-71  14.4 14.1 -7.7 8.8 84.2 86.3 -14.5
 ASP-71   THR-72  15.8 15.7 0.7 19.4 61.5 60.5 -51.7
 ASP-71   THR-72  15.8 15.7 0.7 19.4 61.5 60.5 -51.7

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
 ASP-71   THR-72  15.8 15.7 0.7 19.4 61.5 60.5 -51.7
 ASP-71   THR-72  15.8 15.7 0.7 19.4 61.5 60.5 -51.7
 THR-72   ILE-73  18.3 17.8 -22.0 6.5 63.2 56.1 100.1
 ILE-73   ARG-74  19.9 19.5 7.7 -16.8 131.0 127.6 33.1

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
 ALA-97   ALA-98  15.9 15.6 0.0 -1.8 24.1 21.7 0.7
 ALA-98   LYS-99  14.8 14.6 0.0 -0.1 57.5 61.9 25.7
 LYS-99   ASN-100  11.6 11.3 6.0 -3.5 112.5 110.6 8.3

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
 PRO-164   GLN-165  14.0 14.0 -7.6 5.6 59.8 55.6 -6.3
 GLN-165   HIS-166  16.4 16.2 1.4 -7.5 165.8 163.9 151.2
 HIS-166   LEU-167  17.0 16.8 19.8 -3.8 123.5 124.2 -361.7

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
 ILE-176   THR-177  10.7 10.5 -0.9 -2.5 47.1 50.0 104.4
 THR-177   SER-178  10.0 9.8 -7.9 13.6 54.1 55.2 -69.6
 SER-178   ASN-179  7.6 7.4 -16.9 12.3 69.0 72.6 61.6
 ASN-179   GLU-180  10.5 10.4 -12.8 8.4 126.3 125.9 53.5
 GLU-180   ALA-181  10.9 10.9 -2.5 4.2 102.2 99.7 -84.0
 ALA-181   PHE-182  7.3 7.3 -12.4 14.5 49.7 53.6 37.6
 ALA-181   PHE-182  7.3 7.3 -12.4 14.5 49.7 53.6 37.6

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-181   PHE-182  7.3 7.3 -12.4 14.5 49.7 53.6 37.6
 ALA-181   PHE-182  7.3 7.3 -12.4 14.5 49.7 53.6 37.6
 PHE-182   TYR-183  8.4 8.3 -7.0 -2.6 105.4 104.4 -155.9
 TYR-183   LEU-184  11.8 11.7 7.2 -2.4 15.7 14.0 173.7
 LEU-184   ASP-185  10.8 10.7 -11.1 17.1 96.4 96.9 27.7
 ASP-185   GLU-186  13.3 13.4 9.7 -23.2 68.9 73.5 42.1

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
 VAL-281   MET-282  6.9 6.7 -10.0 0.2 19.3 23.8 177.6
 MET-282   LEU-283  7.1 7.1 7.8 -9.8 105.5 105.9 -18.4
 LEU-283   ALA-284  10.2 10.1 7.3 -6.9 166.6 168.2 -4.4

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
 MET-372   GLY-373  12.8 12.9 6.2 -1.0 19.4 21.4 187.3
 GLY-373   VAL-374  13.2 13.1 -7.1 0.2 100.4 101.5 -309.3
 VAL-374   CYS-375  15.3 15.2 -1.6 12.7 148.8 144.4 268.0

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