6-Phosphogluconate Dehydrogenase Nad-Binding

(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-168   GLY-169  2.1 1.9 2.8 -5.1 89.4 90.5 -9.5
 GLY-169   GLY-170  5.8 5.6 1.9 -0.1 77.0 74.6 9.3
 GLY-170   ASP-171  9.0 8.8 6.0 2.8 22.3 15.4 106.7
 ASP-171   ALA-172  8.9 8.8 3.1 10.3 81.6 71.3 35.6
 ALA-172   GLY-173  8.7 9.4 -13.6 -14.5 134.3 125.6 -88.8
 GLY-173   LEU-174  6.5 6.7 8.4 -2.2 102.9 104.7 -59.3
 LEU-174   ALA-175  3.5 3.8 1.1 -3.1 91.2 94.9 10.9
 ALA-175   ALA-176  3.2 3.2 8.3 -6.1 27.7 26.9 32.2
 ALA-176   LEU-177  4.1 4.2 1.3 6.9 67.9 63.5 12.2
 LEU-177   HIS-178  0.4 0.6 -5.0 3.2 61.6 66.1 33.2

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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