Dihydroflavonol 4-Reductase

(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
 PHE-82   HIS-83  2.6 2.5 1.0 -0.6 81.3 83.6 37.9
 HIS-83   VAL-84  2.2 2.3 -2.9 0.5 44.4 46.4 21.9
 VAL-84   ALA-85  5.4 5.5 -2.0 2.4 95.5 96.9 29.4
 ALA-85   THR-86  8.1 8.2 -3.1 -7.9 55.8 53.1 135.1
 THR-86   PRO-87  10.5 10.7 5.7 -8.0 79.4 85.4 -39.4
 PRO-87   MET-88  14.3 14.5 35.6 32.6 142.8 154.3 -1773.5
 MET-88   ASP-89  15.8 16.0 -28.3 11.7 107.7 71.6 187.5
 ASP-89   PHE-90  18.6 19.6 169.5 39.1 115.0 156.3 4185.9
 PHE-90   GLU-91  21.8 20.5 -166.8 -57.9 37.4 87.6 -1755.2
 GLU-91   SER-92  23.5 24.1 -97.9 56.2 125.0 138.7 -880.9
 SER-92   LYS-93  24.0 23.8 10.1 -13.3 120.5 107.5 138.9
 LYS-93   ASP-94  27.2 27.1 2.4 -9.2 85.0 82.7 -202.1
 ASP-94   PRO-95  25.3 25.4 2.3 0.1 98.4 98.8 -104.2
 PRO-95   GLU-96  22.0 22.0 8.7 -11.1 73.5 74.5 132.1
 GLU-96   ASN-97  21.8 21.9 4.9 -7.6 17.7 18.8 -182.3
 ASN-97   GLU-98  21.8 21.8 -1.5 6.1 110.7 110.0 43.9

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
 MET-107   LEU-108  8.6 8.7 -0.5 -0.9 68.7 69.4 24.4
 LEU-108   GLY-109  11.0 11.2 7.5 -2.6 166.4 166.9 -110.8
 GLY-109   ILE-110  10.6 10.6 -5.9 2.7 75.0 79.3 141.4
 ILE-110   MET-111  6.9 6.9 -1.6 4.3 103.6 105.4 -59.9
 MET-111   LYS-112  8.4 8.6 -1.5 7.3 44.0 45.0 -153.3
 LYS-112   SER-113  11.0 11.1 2.1 -13.8 139.8 135.7 354.0
 SER-113   CYS-114  8.1 8.3 10.0 -7.1 80.9 75.1 -54.0
 CYS-114   ALA-115  7.8 7.9 4.1 -3.5 100.9 95.7 106.3
 ALA-115   ALA-116  11.6 11.7 20.5 -20.8 169.6 160.6 -61.5
 ALA-116   ALA-117  11.6 11.8 -1.7 -8.4 63.8 69.8 15.7
 ALA-117   LYS-118  9.3 9.6 108.1 -123.8 89.3 62.5 -199.1
 LYS-118   THR-119  12.5 12.9 1.7 32.1 71.3 75.3 409.6
 THR-119   VAL-120  11.3 11.7 -18.3 8.7 149.7 153.6 -310.0
 VAL-120   ARG-121  9.4 9.4 -4.6 -0.6 138.4 141.2 -22.1
 ARG-121   ARG-122  11.7 11.6 6.7 -4.2 28.9 31.3 78.8
 ARG-122   LEU-123  9.0 8.8 -1.3 1.8 81.7 80.6 -121.2

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
 SER-127   SER-128  4.1 4.2 6.9 -10.6 120.1 118.8 30.2
 SER-128   ALA-129  6.4 6.4 6.0 -2.2 167.4 165.4 -31.9
 ALA-129   GLY-130  6.6 6.7 -2.7 9.0 76.2 77.1 -25.0

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
 GLU-136   HIS-137  15.0 15.0 -2.1 1.1 135.1 133.3 -8.7
 HIS-137   GLN-138  12.1 12.1 1.8 1.5 117.4 118.6 -75.6
 GLN-138   LEU-139  9.3 9.3 7.8 -8.1 53.3 54.0 75.1
 LEU-139   PRO-140  5.7 5.6 5.6 2.7 90.8 90.4 43.5
 LEU-139   PRO-140  5.7 5.6 5.6 2.7 90.8 90.4 43.5

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
 LEU-139   PRO-140  5.7 5.6 5.6 2.7 90.8 90.4 43.5
 LEU-139   PRO-140  5.7 5.6 5.6 2.7 90.8 90.4 43.5
 PRO-140   VAL-141  4.6 4.7 -7.1 3.4 139.5 144.0 -129.1
 VAL-141   TYR-142  2.6 2.7 -5.2 9.2 128.5 127.6 78.3

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   PHE-185  11.3 11.2 -0.5 -9.5 97.6 96.0 -72.7
 PHE-185   ILE-186  8.1 8.0 -4.9 9.4 146.8 147.1 65.4
 ILE-186   THR-187  5.9 5.8 5.5 -6.3 85.0 83.9 -33.5

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