Autoinducer 2-Binding Periplasmic Protein Luxp

(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  ILE-69   SER-70  11.3 9.7 5.3 3.0 62.0 68.1 -6.7  SER-70   VAL-71  13.4 12.1 10.2 -11.6 67.2 65.6 -19.9  VAL-71   VAL-72  13.8 12.4 6.4 16.8 49.3 55.6 115.5 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  TYR-81   TRP-82  20.4 20.3 -0.1 -1.7 102.3 104.7 -18.1  TRP-82   VAL-83  18.5 17.8 8.1 -3.6 28.0 20.1 28.8  VAL-83   ARG-84  20.2 19.0 3.6 11.3 47.2 57.3 54.2 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  TYR-100   GLN-101  10.8 8.7 -3.8 -0.3 92.9 87.2 38.1  GLN-101   LEU-102  14.1 12.2 -17.1 15.2 146.1 150.4 -21.3  LEU-102   ASN-103  14.5 12.7 14.5 -21.5 67.0 68.1 22.7 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  SER-119   LEU-120  19.5 21.7 3.6 -2.1 98.6 75.1 -19.5  LEU-120   MET-121  16.2 18.1 23.4 5.3 95.7 73.3 -6.8  MET-121   GLU-122  18.2 19.7 17.3 1.2 27.8 3.8 102.7  GLU-122   ALA-123  19.5 19.7 2.5 -4.8 56.4 71.1 -5.9  ALA-123   LEU-124  16.0 15.9 10.0 -6.4 107.2 94.7 3.7  LEU-124   LYS-125  15.2 16.4 9.5 -5.5 79.1 48.5 10.6  LYS-125   SER-126  18.9 19.3 25.3 -3.1 19.6 27.7 123.7  SER-126   LYS-127  18.5 16.9 -19.9 6.8 103.4 90.5 -11.9  LYS-127   SER-128  15.4 15.6 -1.9 -18.7 135.8 116.2 -107.3 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  TYR-130   LEU-131  7.9 6.8 -0.6 -6.5 114.1 107.9 18.8  LEU-131   ILE-132  9.6 8.5 -7.9 13.1 96.7 107.1 35.9  ILE-132   PHE-133  9.7 8.5 7.1 8.7 49.3 51.4 65.6  PHE-133   THR-134  11.2 10.4 -85.2 44.1 109.2 107.5 -56.9 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  ARG-141   LYS-142  9.2 10.3 1.4 5.8 74.4 95.2 -0.4  LYS-142   PHE-143  10.2 12.2 1.4 -8.9 139.6 161.2 21.5  PHE-143   VAL-144  11.4 12.7 -2.0 -1.0 62.5 68.6 -11.8  VAL-144   GLU-145  8.0 9.0 3.2 -10.4 59.9 66.5 -26.9  GLU-145   HIS-146  6.6 8.2 6.0 6.6 97.9 107.8 -13.7 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