Thermostable Lipase

(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-17   GLY-18  6.1 6.2 10.9 -11.3 157.4 157.1 -22.4  GLY-18   TRP-19  4.0 4.1 -1.2 -4.3 94.7 95.4 -115.2  TRP-19   GLY-20  3.4 3.5 -5.5 -5.5 26.8 25.8 183.5 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  PHE-27   LYS-28  6.6 6.5 5.3 -9.0 67.7 69.8 44.5  LYS-28   TYR-29  3.9 3.9 -6.7 8.2 70.1 69.7 -30.9  TYR-29   TRP-30  3.1 3.0 2.5 -2.3 39.8 40.8 42.1 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  VAL-193   ALA-194  7.4 7.3 1.7 2.3 24.8 21.9 174.4  ALA-194   SER-195  7.3 7.3 -5.4 5.1 109.0 108.3 -33.7  SER-195   ASN-196  4.1 4.0 -1.9 1.6 149.4 147.6 23.9 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  VAL-203   TYR-204  7.4 7.5 4.0 2.4 69.8 72.4 76.2  TYR-204   ASP-205  5.1 5.0 -12.0 4.8 74.7 74.4 115.8  ASP-205   PHE-206  8.0 8.0 1.8 -2.1 87.7 86.0 32.9 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