Atpase Inhibitor

(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
 ALA-44   LEU-45  2.8 3.0 -6.1 8.2 131.3 134.4 11.0
 LEU-45   LYS-46  1.3 2.3 -4.4 -0.2 86.7 89.7 2.6
 LYS-46   LYS-47  2.6 1.5 12.5 -24.7 146.3 141.8 34.0

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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