Phospholipid-Transporting Atpase

(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  CYS-416   ASN-417  7.3 8.0 -132.9 139.4 13.9 49.9 -64.5  ASN-417   VAL-418  9.2 10.0 -41.5 17.4 68.9 67.5 69.1  VAL-418   MET-419  7.8 8.6 -4.0 -5.3 59.2 61.2 12.8  MET-419   GLN-420  5.7 6.2 -39.1 40.9 99.3 84.0 18.5  GLN-420   PHE-421  6.2 6.6 31.7 -36.3 125.4 127.5 -13.1  PHE-421   LYS-422  7.2 7.5 0.8 -1.5 48.4 61.0 -6.9  LYS-422   LYS-423  7.9 7.9 1.2 -7.5 118.5 122.7 1.3  LYS-423   CYS-424  9.8 9.7 -17.3 16.1 10.8 13.3 13.3  CYS-424   THR-425  10.9 11.1 -7.2 3.1 64.1 65.0 10.8 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-641   THR-642  8.2 8.1 -17.1 -20.4 39.9 34.6 172.6  THR-642   ALA-643  6.8 6.9 -22.2 28.7 42.7 52.9 -60.9  ALA-643   ILE-644  5.4 5.1 18.5 2.5 123.9 123.1 -70.8  ILE-644   GLU-645  3.2 3.1 24.7 -43.3 133.3 136.6 29.8  GLU-645   ASP-646  1.5 1.6 -26.9 14.3 82.6 66.6 7.8  ASP-646   LYS-647  2.4 2.8 0.7 -5.1 168.2 169.4 20.4  LYS-647   LEU-648  2.4 3.0 -4.4 6.2 55.9 55.5 -10.0 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