2-Dehydropantoate 2-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
 ARG-175   LYS-176  16.4 15.6 4.4 3.0 34.7 26.6 61.2
 LYS-176   LEU-177  14.9 14.8 2.8 7.1 96.8 89.9 11.3
 LEU-177   ALA-178  11.4 11.3 -10.0 4.2 55.5 66.5 90.0
 ALA-178   VAL-179  11.4 11.0 0.4 1.5 54.7 45.1 28.7
 VAL-179   ASN-180  12.4 12.4 -2.0 6.1 126.1 129.2 -78.5
 ASN-180   CYS-181  9.6 9.6 -12.2 1.0 64.9 66.7 17.8

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
 GLN-247   ASP-248  5.2 5.1 -3.6 5.8 81.1 87.5 -26.1
 ASP-248   ILE-249  1.9 1.8 2.7 -6.6 92.4 90.9 56.5
 ILE-249   ARG-250  2.6 2.7 14.1 -19.1 153.6 150.7 -43.8
 ARG-250   ALA-251  4.5 4.6 3.0 3.7 137.2 140.8 20.5
 ALA-251   LEU-252  1.4 1.5 4.2 -1.6 73.4 76.5 2.8
 LEU-252   ARG-253  3.4 3.7 4.1 -9.1 86.3 84.0 113.2

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-259   ILE-260  8.4 8.3 5.4 -0.3 104.5 104.3 14.1
 ILE-260   ASN-261  6.5 6.3 -10.8 16.0 36.1 33.8 -46.0
 ASN-261   GLY-262  3.6 3.3 -12.3 4.7 71.0 70.5 58.8

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