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
 GLY-10   LEU-11  9.5 9.5 -15.7 -26.7 97.8 83.9 -71.1
 LEU-11   VAL-12  6.2 5.9 -9.8 39.0 125.5 145.8 106.5
 VAL-12   VAL-13  5.6 5.6 7.2 5.4 79.7 76.3 75.3
 VAL-13   LEU-14  3.2 2.8 -24.4 8.9 131.4 130.1 -85.2
 LEU-14   ASP-15  5.2 4.4 -2.0 2.2 141.7 141.2 -3.1
 ASP-15   ILE-16  3.8 3.0 0.8 -5.4 55.9 59.1 11.1
 ILE-16   ILE-17  5.9 5.4 -6.8 4.3 145.4 152.8 9.6
 ILE-17   ASN-18  4.4 4.3 -3.9 5.3 142.2 137.0 -1.2
 ASN-18   VAL-19  5.5 5.9 3.5 -2.2 37.4 36.5 15.7

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
 LEU-33   SER-34  8.4 8.9 -1.3 3.9 128.4 133.4 27.3
 SER-34   GLN-35  9.3 9.5 5.7 7.7 26.8 28.6 35.7
 GLN-35   ARG-36  9.1 9.2 -10.2 9.8 125.0 119.5 -22.2
 ARG-36   TRP-37  9.5 8.9 3.5 -5.1 23.6 27.2 8.5
 TRP-37   GLN-38  9.3 8.4 3.1 4.1 85.8 93.8 -23.7
 GLN-38   ARG-39  8.1 7.4 4.1 2.8 28.4 27.0 22.9

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
 VAL-81   ASP-82  17.8 18.2 2.5 1.4 160.9 160.4 -16.5
 ASP-82   VAL-83  18.2 18.8 -1.3 6.3 70.6 65.3 -35.4
 VAL-83   SER-84  15.0 15.8 -6.7 19.4 12.5 4.6 -70.0
 SER-84   GLN-85  16.3 17.0 -12.8 0.4 56.1 62.1 74.5
 GLN-85   VAL-86  13.9 14.1 1.1 14.9 73.5 73.0 1.5
 VAL-86   THR-87  10.7 11.3 -12.9 -9.6 34.1 33.0 114.0
 THR-87   TRP-88  7.9 8.4 -12.4 16.4 104.4 95.7 2.3
 TRP-88   GLN-89  7.9 7.9 19.4 -36.9 124.8 122.8 41.5
 GLN-89   SER-90  5.3 5.1 -11.9 -23.8 76.9 81.2 40.0

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


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
 GLN-91   GLY-92  8.1 6.2 -22.3 -33.7 45.3 26.3 300.7
 GLY-92   ASP-93  7.0 5.8 6.4 -28.8 156.9 134.4 109.8
 ASP-93   THR-94  7.1 5.9 46.1 6.0 112.9 126.6 -170.1
 THR-94   PRO-95  5.0 4.3 6.2 -2.6 148.0 130.2 -19.3
 PRO-95   CYS-96  3.2 2.5 2.7 19.0 152.1 157.5 -121.8
 CYS-96   SER-97  4.2 3.9 10.1 -18.1 130.8 124.8 113.2
 SER-97   CYS-98  2.9 3.0 1.0 5.2 147.2 147.4 -53.4

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
 ASN-116   LEU-117  3.5 4.7 -157.0 -97.8 158.7 141.2 569.9
 LEU-117   PRO-118  1.2 2.2 -1.9 -3.1 117.7 114.4 47.1
 PRO-118   ASP-119  2.5 1.6 7.7 -6.0 108.8 115.0 25.6
 ASP-119   VAL-120  5.2 4.6 -13.8 -0.8 136.9 129.2 -41.1
 VAL-120   SER-121  7.6 7.1 -5.9 -8.4 131.2 124.3 -30.9

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