Thymidylate Synthase

(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
 GLY-60   MET-61  15.4 15.5 3.7 -0.5 155.7 152.9 -40.2
 MET-61   GLN-62  14.8 14.8 12.5 -8.4 104.3 100.4 31.1
 GLN-62   ALA-63  12.7 12.6 5.5 -9.6 161.1 162.0 34.3

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
 ASP-69   GLU-70  8.9 9.0 -0.4 0.4 102.4 102.3 22.5
 GLU-70   PHE-71  5.7 5.8 -9.0 1.4 38.9 38.4 81.1
 PHE-71   PRO-72  2.6 2.5 -3.2 -1.1 82.9 89.2 -18.3

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
 LYS-82   GLY-83  11.7 12.1 -18.7 8.4 165.1 167.0 -168.9
 GLY-83   VAL-84  12.6 13.3 17.7 -10.4 53.4 53.2 96.2
 VAL-84   LEU-85  9.1 9.7 -5.7 3.5 93.8 98.4 40.2
 LEU-85   GLU-86  9.5 9.9 -5.8 13.3 118.2 121.2 110.5
 GLU-86   GLU-87  13.1 13.6 4.2 -4.3 8.7 11.2 -22.1

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
 CYS-180   ALA-181  4.0 4.0 -6.3 8.4 94.1 87.3 38.8
 ALA-181   TRP-182  6.8 6.9 -3.9 9.5 41.5 41.5 -41.2
 TRP-182   ASN-183  6.9 7.0 22.6 -22.7 151.6 146.7 55.2
 ASN-183   PRO-184  8.7 8.8 -14.2 13.2 55.9 47.7 -18.7

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
 SER-206   GLU-207  17.5 17.8 -2.5 -14.0 105.2 108.6 39.2
 GLU-207   LEU-208  14.1 14.3 10.3 4.1 140.3 141.4 -112.8
 LEU-208   SER-209  11.1 11.2 8.9 -6.7 86.8 88.2 27.6

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
 SER-229   TYR-230  4.6 4.7 6.1 2.4 64.6 62.1 51.4
 TYR-230   ALA-231  1.5 1.7 -7.4 0.7 51.5 51.4 30.9
 ALA-231   LEU-232  1.0 1.1 10.3 -7.1 107.7 110.0 -50.7

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
 PHE-248   ILE-249  6.0 6.0 -3.4 4.5 67.7 66.3 -27.0
 ILE-249   HIS-250  7.7 7.7 -8.2 1.6 70.9 70.1 51.2
 HIS-250   THR-251  7.6 7.5 0.9 3.3 134.2 131.3 -104.9

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
 PHE-276   PRO-277  5.8 5.7 0.7 -7.9 119.3 121.5 103.8
 PRO-277   LYS-278  2.3 2.3 -4.2 14.5 115.4 119.8 83.5
 LYS-278   LEU-279  2.7 3.1 5.8 -8.2 75.0 72.1 -49.5

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
 PHE-296   GLN-297  9.8 10.2 25.8 -22.2 35.2 30.9 56.7
 GLN-297   ILE-298  7.8 8.0 7.6 -8.0 90.9 87.4 5.8
 ILE-298   GLU-299  4.3 4.4 -3.1 3.8 162.3 161.8 26.1

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