Bifunctional Dihydrofolate Reductase-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
 PRO-9   GLU-10  35.1 34.6 -7.8 -4.2 23.0 14.8 117.3
 GLU-10   THR-11  34.3 34.5 -24.0 -20.6 87.0 73.4 84.7
 THR-11   VAL-12  30.8 30.9 133.9 -19.7 66.7 48.8 603.2
 VAL-12   ALA-13  29.9 27.4 -162.2 19.6 80.1 120.9 -581.8
 ALA-13   GLU-14  26.8 26.9 148.0 23.8 84.1 109.1 -205.5
 GLU-14   GLY-15  25.6 26.2 -19.5 31.3 162.8 111.9 85.9
 GLY-15   THR-16  23.4 22.4 -11.6 57.9 108.5 83.2 -3.8
 THR-16   ARG-17  22.6 21.3 175.5 -64.2 139.0 145.3 -773.6
 ARG-17   LEU-18  21.1 18.4 13.0 4.3 82.7 113.8 108.5
 LEU-18   ALA-19  17.4 17.5 11.9 23.9 129.2 60.8 234.8
 ALA-19   LEU-20  15.4 16.1 172.6 34.5 111.6 110.7 623.9
 LEU-20   ARG-21  12.0 12.4 2.7 -3.8 67.9 71.7 -36.8

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
 VAL-193   PRO-194  7.4 8.2 -9.5 -0.2 41.8 41.7 73.4
 PRO-194   GLU-195  7.7 8.3 -7.9 -2.3 21.5 25.0 118.4
 GLU-195   SER-196  8.3 8.7 -12.5 -13.7 52.3 52.1 223.5

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
 ILE-204   GLU-205  2.7 3.1 4.7 3.9 62.2 57.7 38.9
 GLU-205   TRP-206  1.7 1.9 -5.1 2.1 65.3 65.1 18.0
 TRP-206   GLN-207  4.0 4.0 -1.8 14.3 126.1 127.4 54.1

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
 PRO-232   ARG-233  3.7 3.3 18.5 -20.3 154.1 145.1 29.6
 ARG-233   ASN-234  4.0 3.8 0.5 9.0 98.5 93.0 39.6
 ASN-234   ARG-235  6.7 6.6 -3.1 17.7 13.0 16.1 -133.0

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