Ketohexokinase

(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
 LEU-11   VAL-12  7.2 6.8 -9.8 -15.7 9.0 7.3 76.4
 VAL-12   VAL-13  6.5 6.5 -3.3 -7.2 88.3 81.5 20.2
 VAL-13   LEU-14  2.9 3.2 10.8 -6.5 171.2 166.7 -16.2
 LEU-14   ASP-15  1.6 2.4 -1.0 -7.3 87.1 92.9 0.8
 ASP-15   VAL-16  2.3 1.5 6.2 0.4 149.7 151.9 -28.6
 VAL-16   ILE-17  3.7 4.1 18.5 -18.2 99.1 90.0 39.4

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
 ARG-36   TRP-37  3.5 3.6 -17.8 -7.3 27.6 40.2 85.3
 TRP-37   GLN-38  1.2 0.7 -13.9 7.4 81.6 79.5 -23.6
 GLN-38   ARG-39  4.2 2.6 15.8 -14.5 148.5 144.0 -6.9
 ARG-39   GLY-40  5.5 4.7 -5.5 6.7 50.5 51.8 3.1
 GLY-40   GLY-41  5.8 4.9 -12.2 10.5 26.7 30.4 22.3

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
 THR-90   THR-91  17.4 18.5 -4.7 0.9 102.8 106.2 19.8
 THR-91   GLY-92  15.1 16.3 -25.0 27.4 72.5 75.3 1.1
 GLY-92   SER-93  11.9 13.2 -3.8 38.9 19.0 16.2 -121.9
 SER-93   VAL-94  9.9 11.1 -23.7 -7.7 92.9 81.5 37.2
 VAL-94   PRO-95  6.6 8.9 -7.7 16.2 94.5 86.0 5.1
 PRO-95   ILE-96  3.8 5.3 -18.1 -26.1 32.8 26.1 154.7
 ILE-96   ALA-97  3.4 4.3 20.0 -22.8 77.8 72.5 -20.7
 ALA-97   THR-98  3.9 4.4 31.2 -21.3 148.4 143.8 -36.2

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
 TYR-112   TYR-113  6.1 5.9 29.0 58.3 105.4 91.8 -24.4
 TYR-113   ASP-114  6.7 5.0 51.0 2.2 111.6 151.5 -187.7
 ASP-114   ARG-115  5.5 7.4 37.6 26.1 85.5 125.3 562.5
 ARG-115   SER-116  8.1 6.9 -22.9 -124.7 52.2 87.2 -253.4

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