Citrate Synthase (E.C.4.1.3.7)

(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  THR-55   SER-56  5.9 6.5 -16.9 4.4 60.1 67.4 23.3  SER-56   VAL-57  2.6 3.1 21.2 -15.7 66.5 65.7 33.1  VAL-57   LEU-58  2.4 2.5 0.9 -27.6 127.0 127.5 76.4 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  GLY-63   ILE-64  7.1 6.7 -26.5 25.4 60.7 59.7 58.3  ILE-64   ARG-65  3.4 3.0 -2.0 -14.3 74.9 70.5 54.7  ARG-65   PHE-66  2.9 2.5 -2.2 -3.8 82.6 80.7 14.8 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  LEU-273   HIS-274  18.1 17.2 -8.1 17.4 107.9 114.6 24.2  HIS-274   GLY-275  15.0 14.4 -74.0 16.5 43.9 42.6 190.3  GLY-275   LEU-276  13.6 12.2 9.7 27.5 139.8 163.5 -125.9  LEU-276   ALA-277  14.0 14.3 -59.3 75.4 83.2 67.3 -80.0 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

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  GLN-279   GLU-280  11.2 12.0 0.7 -1.7 85.3 72.3 48.6  GLU-280   VAL-281  13.8 14.5 -1.6 11.8 110.9 108.4 -31.5  VAL-281   LEU-282  12.1 12.4 -8.9 -0.3 157.1 166.7 -63.7  LEU-282   VAL-283  10.1 10.9 -6.4 11.1 134.5 128.4 69.4 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  THR-331   CYS-332  9.1 8.7 -9.8 8.5 105.4 108.0 24.1  CYS-332   GLN-333  7.1 6.7 -0.7 20.4 163.0 160.0 34.2  GLN-333   ARG-334  5.5 4.9 -24.4 15.4 128.7 129.8 -29.0  ARG-334   GLU-335  8.7 8.3 5.0 -11.3 80.9 80.9 -46.6  GLU-335   PHE-336  10.8 10.0 2.6 -3.1 47.7 52.0 -3.9  PHE-336   ALA-337  8.8 7.8 12.0 -6.2 22.4 19.1 57.3  ALA-337   LEU-338  8.4 7.5 -4.8 2.9 110.6 108.5 -22.5  LEU-338   LYS-339  12.1 11.3 4.9 -4.3 66.6 72.5 -12.3  LYS-339   HIS-340  12.9 12.0 6.8 7.9 149.5 145.3 -63.0  LYS-339   HIS-340  12.9 12.0 6.8 7.9 149.5 145.3 -63.0 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

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-339   HIS-340  12.9 12.0 6.8 7.9 149.5 145.3 -63.0  LYS-339   HIS-340  12.9 12.0 6.8 7.9 149.5 145.3 -63.0  HIS-340   LEU-341  10.5 9.6 3.0 -21.9 138.1 142.9 74.5  LEU-341   PRO-342  8.7 8.0 -5.0 5.8 90.7 93.2 -8.9  PRO-342   HIS-343  11.9 10.9 7.3 8.9 134.7 138.7 -65.5  HIS-343   ASP-344  11.9 10.8 -40.7 28.9 70.9 72.9 16.5 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  PRO-345   MET-346  9.7 9.5 10.2 14.8 36.4 45.1 55.5  MET-346   PHE-347  8.6 8.4 -5.6 2.4 159.7 151.4 8.8  PHE-347   LYS-348  8.5 8.4 -8.6 -2.7 88.4 94.4 -44.6 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  ASN-373   VAL-374  9.1 9.6 -37.1 47.3 106.5 129.9 -36.3  VAL-374   ASP-375  5.5 6.1 -11.9 10.0 153.9 152.2 -27.7  ASP-375   ALA-376  7.1 8.0 8.0 -9.3 30.9 40.1 -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  HIS-377   SER-378  6.0 6.2 46.6 -33.8 118.3 106.3 17.9  SER-378   GLY-379  2.8 3.6 7.6 0.9 154.9 158.1 -58.2  GLY-379   VAL-380  4.6 5.1 -8.8 11.5 33.7 41.9 3.0  VAL-380   LEU-381  4.1 4.3 -5.5 14.8 79.9 83.7 -2.0 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