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
 LYS-46   LYS-47  3.5 3.2 -4.7 3.7 39.7 40.9 5.2
 LYS-47   HIS-48  2.0 1.8 -0.7 -2.8 102.5 103.0 0.1
 HIS-48   LYS-49  2.2 3.1 9.4 -7.6 52.2 46.2 11.8

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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