Rho-Associated Kinase

(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  SER-1012   ALA-1013  9.0 8.9 -29.8 13.1 46.9 43.7 22.5  ALA-1013   ALA-1014  7.9 8.0 -4.1 -9.1 72.4 66.5 24.7  ALA-1014   ALA-1015  6.8 6.8 13.5 -8.6 54.1 50.2 -11.7  ALA-1015   ILE-1016  4.8 5.2 19.0 -14.4 82.3 89.3 -0.4  ALA-1015   ILE-1016  4.8 5.2 19.0 -14.4 82.3 89.3 -0.4 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

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-1015   ILE-1016  4.8 5.2 19.0 -14.4 82.3 89.3 -0.4  ALA-1015   ILE-1016  4.8 5.2 19.0 -14.4 82.3 89.3 -0.4  ILE-1016   LYS-1017  3.4 3.3 2.2 0.6 31.5 32.0 11.7  LYS-1017   ALA-1018  2.3 2.3 4.0 -10.4 100.8 102.1 -10.0  ALA-1018   GLN-1019  2.6 3.0 5.1 -2.5 60.2 56.2 7.5  ALA-1018   GLN-1019  2.6 3.0 5.1 -2.5 60.2 56.2 7.5 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

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-1018   GLN-1019  2.6 3.0 5.1 -2.5 60.2 56.2 7.5  ALA-1018   GLN-1019  2.6 3.0 5.1 -2.5 60.2 56.2 7.5  GLN-1019   PHE-1020  1.6 1.6 -9.7 11.7 52.2 54.4 15.4  PHE-1020   GLU-1021  3.2 3.0 -6.4 5.6 55.1 57.6 -5.3 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