Pantoate--Beta-Alanine 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
 GLY-174   VAL-175  10.3 10.4 -10.7 13.6 23.3 24.6 -36.0
 VAL-175   PRO-176  10.5 10.6 3.8 -8.6 116.5 113.0 28.8
 PRO-176   ILE-177  8.3 8.4 7.5 10.5 147.2 148.7 -116.9
 ILE-177   MET-178  6.0 5.8 -31.6 4.8 30.6 36.9 207.5
 MET-178   ARG-179  7.1 7.2 -3.4 15.0 58.6 59.2 54.7
 ARG-179   ALA-180  6.8 6.7 8.6 -0.1 150.3 158.9 -47.4

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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