Pyruvate,orthophosphate Dikinase

(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  ASN-386   PRO-387  34.5 34.1 3.7 8.8 70.3 69.7 162.7  PRO-387   SER-388  33.0 32.9 -3.0 -11.4 117.6 125.3 -90.0  SER-388   ALA-389  36.4 36.3 -7.6 9.7 173.9 157.8 55.1  ALA-389   TYR-390  35.8 35.9 -11.4 -1.6 120.0 127.8 -143.3  TYR-390   LYS-391  32.9 33.0 10.6 -14.7 88.1 86.0 2.7  LYS-391   ASP-392  35.0 35.0 -4.2 10.0 150.4 162.9 86.7 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-393   VAL-394  31.0 31.5 -2.4 7.4 121.7 117.7 116.9  VAL-394   ILE-395  30.6 30.7 20.6 -13.9 124.1 128.3 -92.4  ILE-395   ALA-396  29.4 29.4 9.8 -14.6 58.8 60.6 -98.3  ALA-396   THR-397  29.1 29.3 9.5 -7.4 14.9 13.2 14.5 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  LEU-399   PRO-400  26.7 26.5 -2.7 15.4 105.1 108.7 241.1  PRO-400   ALA-401  25.6 25.1 -16.5 20.5 131.1 121.1 137.5  ALA-401   SER-402  22.5 21.9 -9.8 -2.0 121.5 124.1 -91.8  SER-402   PRO-403  20.9 20.4 -5.2 7.0 70.4 70.9 -7.2  PRO-403   GLY-404  23.0 22.8 -1.4 6.1 114.3 113.4 67.9  PRO-403   GLY-404  23.0 22.8 -1.4 6.1 114.3 113.4 67.9 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  PRO-403   GLY-404  23.0 22.8 -1.4 6.1 114.3 113.4 67.9  PRO-403   GLY-404  23.0 22.8 -1.4 6.1 114.3 113.4 67.9  GLY-404   ALA-405  22.9 22.7 -0.8 2.0 172.5 170.9 37.1  ALA-405   ALA-406  23.5 23.5 0.2 -6.0 64.4 63.8 -80.5 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  LYS-468   CYS-469  16.2 16.0 3.0 -6.4 114.5 110.1 22.8  CYS-469   CYS-470  19.1 18.9 9.7 -8.1 115.4 113.0 41.1  CYS-470   VAL-471  19.3 19.2 -3.8 -2.7 83.6 84.8 -44.9  VAL-471   SER-472  22.2 22.1 -16.9 10.0 81.9 77.8 -47.9 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  LEU-499   SER-500  21.3 21.3 -7.1 7.8 155.9 160.2 -9.1  SER-500   LEU-501  23.1 23.1 -8.1 9.3 127.5 126.7 47.1  LEU-501   ASN-502  23.1 22.9 -4.1 4.6 146.7 149.5 38.4  ASN-502   GLY-503  25.3 25.0 -0.5 -3.0 127.6 129.5 -64.4 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-506   GLU-507  27.0 27.0 -8.0 2.7 14.4 10.0 98.3  GLU-507   VAL-508  28.0 28.0 17.8 -16.3 126.5 123.2 -14.3  VAL-508   ILE-509  25.8 25.7 -27.7 38.5 46.6 41.7 -115.5  ILE-509   LEU-510  26.9 27.2 37.6 -39.0 141.5 141.8 12.1  LEU-510   GLY-511  25.9 26.0 -5.7 7.9 87.4 81.5 20.0  LEU-510   GLY-511  25.9 26.0 -5.7 7.9 87.4 81.5 20.0 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  LEU-510   GLY-511  25.9 26.0 -5.7 7.9 87.4 81.5 20.0  LEU-510   GLY-511  25.9 26.0 -5.7 7.9 87.4 81.5 20.0  GLY-511   LYS-512  24.9 24.9 14.1 -0.8 34.1 37.7 290.1  LYS-512   GLN-513  24.6 24.8 -17.2 3.7 115.1 120.8 -203.0  GLN-513   PRO-514  27.5 27.6 0.5 -9.3 125.1 129.0 41.1  GLN-513   PRO-514  27.5 27.6 0.5 -9.3 125.1 129.0 41.1 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  GLN-513   PRO-514  27.5 27.6 0.5 -9.3 125.1 129.0 41.1  GLN-513   PRO-514  27.5 27.6 0.5 -9.3 125.1 129.0 41.1  PRO-514   LEU-515  28.6 28.7 10.2 -4.4 162.0 164.2 -164.3  LEU-515   SER-516  27.0 27.5 8.5 -13.7 123.1 122.7 212.9  SER-516   PRO-517  29.4 29.9 10.3 -12.5 72.2 71.1 -34.3  SER-516   PRO-517  29.4 29.9 10.3 -12.5 72.2 71.1 -34.3 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

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-516   PRO-517  29.4 29.9 10.3 -12.5 72.2 71.1 -34.3  SER-516   PRO-517  29.4 29.9 10.3 -12.5 72.2 71.1 -34.3  PRO-517   PRO-518  29.5 29.7 9.0 8.8 8.5 4.4 368.3  PRO-518   ALA-519  28.4 28.8 -8.6 -3.6 122.3 118.6 -167.3  ALA-519   LEU-520  30.7 31.3 -13.8 17.9 105.3 116.0 -32.4 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