6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase

(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
 VAL-18   ASN-19  1.6 1.3 3.8 -1.0 102.4 101.6 7.0
 ASN-19   ALA-20  5.3 4.8 -3.8 3.4 27.5 32.2 4.6
 ALA-20   ALA-21  4.5 4.0 -6.9 5.5 95.0 100.4 9.1
 ALA-21   LEU-22  4.2 4.4 -7.5 2.0 116.1 112.6 -2.1
 LEU-22   LYS-23  6.9 7.1 1.5 -1.8 131.3 133.5 6.4
 LYS-23   ALA-24  8.9 8.8 -1.3 -5.4 57.7 58.4 42.9

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-36   SER-37  9.4 9.4 2.6 -10.1 150.2 146.4 53.0
 SER-37   SER-38  7.0 6.7 5.3 -15.0 82.3 79.9 -22.4
 SER-38   PHE-39  5.3 4.8 11.6 -14.9 57.8 59.8 1.9

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
 LEU-54   ASN-55  3.8 4.1 -4.6 5.6 91.0 95.7 -25.2
 ASN-55   ALA-56  2.8 3.3 3.8 2.8 78.1 75.7 44.8
 ALA-56   ALA-57  3.4 3.4 0.0 -11.1 97.5 93.7 20.0
 ALA-57   VAL-58  7.2 7.1 9.8 -8.8 113.5 108.4 19.4

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-75   ILE-76  10.9 10.5 7.4 -3.7 106.5 105.9 13.0
 ILE-76   GLU-77  7.8 7.5 1.7 0.9 102.4 101.2 1.0
 GLU-77   LEU-78  8.0 7.4 -3.5 -4.4 149.2 150.3 -24.1
 LEU-78   GLN-79  8.5 7.8 8.9 18.5 66.0 63.6 85.4
 GLN-79   GLN-80  5.3 4.6 6.6 2.6 118.9 115.3 50.5
 GLN-80   GLY-81  3.0 3.3 26.5 -133.9 111.8 87.2 -8.1
 GLY-81   ARG-82  5.7 6.4 -162.5 89.2 123.5 54.8 -14.2
 ARG-82   VAL-83  9.2 8.9 -34.5 -45.3 52.6 120.8 -139.6
 VAL-83   ARG-84  12.8 12.4 -28.0 -7.9 87.8 40.0 205.8
 ARG-84   LYS-85  14.8 15.4 -4.9 -22.5 123.1 95.2 -91.2
 LYS-85   ALA-86  17.2 17.9 -156.9 9.1 65.4 75.9 378.3
 ALA-86   GLU-87  20.2 21.5 -4.5 48.7 57.3 6.4 -282.4
 GLU-87   ARG-88  19.3 21.4 89.8 -35.6 70.9 114.9 -78.7
 ARG-88   TRP-89  18.2 20.1 179.2 149.0 127.5 122.6 298.6
 TRP-89   GLY-90  19.3 16.9 42.4 -14.4 145.2 73.7 -152.3
 GLY-90   PRO-91  17.2 16.3 -12.0 1.9 93.1 102.6 8.2
 PRO-91   ARG-92  13.6 13.2 3.5 -65.9 41.2 43.2 -375.5
 ARG-92   THR-93  11.0 10.2 -27.8 5.4 72.4 92.9 -82.0
 THR-93   LEU-94  8.3 6.9 -20.7 -17.6 63.5 61.8 132.3
 LEU-94   ASP-95  5.9 5.9 14.9 -23.6 103.7 101.8 87.5
 ASP-95   LEU-96  8.2 8.5 -11.3 11.6 72.6 65.3 43.3
 LEU-96   ASP-97  9.1 9.3 -12.9 13.3 71.9 72.1 -44.5
 ASP-97   ILE-98  12.1 12.3 0.7 -4.9 110.9 114.6 30.9
 ILE-98   MET-99  14.5 14.7 -5.8 9.8 26.7 25.5 -11.2

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