Beta-Lactamase

(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-98   GLU-99  7.2 7.2 1.5 -2.6 136.4 137.9 23.1  GLU-99   ILE-100  7.8 7.8 -2.1 3.3 22.2 19.3 18.7  ILE-100   PHE-101  8.2 8.3 -4.4 1.9 57.6 57.1 -19.1 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-114   LYS-115  4.0 3.9 -6.3 5.2 65.5 64.6 92.8  LYS-115   ASP-116  6.4 6.4 2.5 6.8 155.3 154.7 -149.0  ASP-116   MET-117  7.6 7.5 2.3 -2.7 123.1 124.3 81.8 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  GLU-121   ALA-122  4.3 4.4 9.2 -2.6 123.7 124.6 -89.1  ALA-122   MET-123  1.6 1.7 -4.6 6.8 103.7 100.6 -8.8  MET-123   LYS-124  4.7 4.9 -4.1 7.0 57.7 55.9 -8.7 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  VAL-128   PRO-129  6.5 6.3 -3.8 4.8 83.7 80.7 -14.4  PRO-129   VAL-130  6.6 6.6 -3.9 -0.4 29.4 23.9 44.6  VAL-130   TYR-131  5.1 5.2 -0.6 1.8 47.6 47.7 7.2 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