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-19   ILE-20  4.7 5.3 2.0 -0.5 20.8 20.7 11.1
 ILE-20   SER-21  3.3 3.9 0.1 8.2 93.3 91.8 2.2
 SER-21   ASP-22  4.7 5.0 -3.8 23.9 133.6 126.8 68.1

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
 THR-40   LEU-41  6.1 6.2 -5.2 10.4 66.8 70.4 -37.2
 LEU-41   SER-42  3.8 4.0 5.1 7.5 69.4 72.0 82.1
 SER-42   VAL-43  0.3 0.5 -3.5 -2.2 76.0 82.5 63.0
 VAL-43   ILE-44  3.9 4.0 -9.2 11.9 94.4 91.6 -27.2

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


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
 ARG-181   SER-182  12.1 12.0 7.3 -17.6 80.8 81.3 -7.9
 SER-182   ASN-183  9.4 8.9 23.8 -18.9 158.4 156.3 -18.9
 ASN-183   ASP-184  7.3 7.0 10.4 5.9 91.6 85.1 43.6
 ASP-184   MET-185  6.5 5.9 12.0 -9.0 35.7 34.3 2.3
 ASP-184   MET-185  6.5 5.9 12.0 -9.0 35.7 34.3 2.3

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-184   MET-185  6.5 5.9 12.0 -9.0 35.7 34.3 2.3
 ASP-184   MET-185  6.5 5.9 12.0 -9.0 35.7 34.3 2.3
 MET-185   ALA-186  3.4 2.8 8.8 -3.6 42.8 44.8 56.1
 ALA-186   LEU-187  5.5 4.9 -1.0 -2.8 124.9 126.0 -45.4
 LEU-187   GLY-188  8.3 7.6 31.4 -32.5 77.3 79.3 -18.9
 GLY-188   ASN-189  8.9 8.1 9.6 -8.6 65.6 66.7 9.1
 ASN-189   PRO-190  6.3 5.7 8.8 -10.0 5.1 9.7 -2.9
 PRO-190   PHE-191  5.4 4.8 2.3 2.3 65.5 62.7 9.3
 PHE-191   ASN-192  9.2 8.4 -5.6 0.9 79.7 79.6 39.9
 PHE-191   ASN-192  9.2 8.4 -5.6 0.9 79.7 79.6 39.9

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-191   ASN-192  9.2 8.4 -5.6 0.9 79.7 79.6 39.9
 PHE-191   ASN-192  9.2 8.4 -5.6 0.9 79.7 79.6 39.9
 ASN-192   VAL-193  10.4 10.1 17.1 -10.9 60.4 66.0 3.8
 VAL-193   PHE-194  9.1 8.8 -4.8 12.3 162.7 163.0 57.6

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
 CYS-221   HIS-222  4.0 3.5 14.4 -13.5 74.5 68.9 22.3
 HIS-222   VAL-223  2.3 2.2 -22.0 8.6 43.5 46.6 43.0
 VAL-223   TYR-224  4.2 4.3 19.8 -0.6 57.2 54.0 82.8

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
 HIS-227   ILE-228  10.0 10.2 7.4 -10.9 82.4 76.8 -13.3
 ILE-228   ASP-229  9.7 9.9 14.2 -9.7 43.8 47.4 24.0
 ASP-229   ASN-230  12.9 13.1 6.1 2.0 19.7 21.0 69.1

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
 LYS-268   HIS-269  2.9 3.3 6.9 -2.7 10.6 7.7 23.2
 HIS-269   GLY-270  4.7 4.9 2.1 -1.3 79.4 80.4 25.8
 GLY-270   ASP-271  7.8 8.0 -12.0 3.9 97.3 99.6 25.7
 ASP-271   LYS-272  10.7 11.2 0.9 -6.0 37.8 31.6 -27.8
 LYS-272   LEU-273  11.1 12.0 -17.0 17.0 147.9 144.1 -15.0
 LEU-273   LEU-274  11.4 12.3 3.3 -14.8 53.8 60.3 -113.5
 LEU-274   PHE-275  13.6 14.4 -5.7 30.2 156.4 162.0 228.0
 PHE-275   GLU-276  12.3 13.0 8.6 6.3 62.2 55.8 57.1

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