Benzoate-Coenzyme A Ligase

(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
 TYR-424   ALA-425  12.5 12.6 7.5 -24.8 131.9 117.7 5.2
 ALA-425   GLY-426  10.1 10.5 32.5 -12.2 116.0 106.6 0.0
 GLY-426   ARG-427  7.3 7.0 8.3 -41.3 45.5 47.3 -15.9
 ARG-427   SER-428  4.5 3.8 10.6 -42.2 86.6 67.6 -8.4
 SER-428   ASP-429  2.0 1.5 39.3 -73.8 136.9 108.9 8.5
 ASP-429   ASP-430  0.9 2.0 68.9 151.3 156.7 156.8 99.7
 ASP-430   MET-431  1.5 2.4 -7.6 -8.1 83.9 73.1 1.9

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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