Propionate 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  GLY-90   GLN-91  8.3 10.5 -39.3 9.5 98.0 99.4 -9.7  GLN-91   TYR-92  8.1 9.5 -0.8 -18.4 54.3 64.0 37.6  TYR-92   PHE-93  10.8 12.6 27.2 -32.0 138.7 161.4 59.9 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  SER-94   LYS-95  6.9 7.1 27.3 -1.1 23.7 41.3 122.9  LYS-95   SER-96  7.1 7.4 -31.9 27.5 126.4 146.4 15.8  SER-96   VAL-97  7.4 7.5 -12.0 -17.1 96.8 103.1 -39.6 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  VAL-140   PHE-141  5.4 5.6 13.1 -2.5 44.0 37.7 -3.9  PHE-141   ASP-142  5.1 5.4 9.2 -2.7 73.4 71.0 33.0  ASP-142   THR-143  4.3 4.4 -1.4 8.0 152.3 146.0 30.1 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  GLU-372   GLU-373  5.4 5.9 2.4 -3.5 48.9 46.4 15.4  GLU-373   LEU-374  4.8 4.9 -6.6 -0.4 114.8 109.9 12.9 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