(S)-Norcoclaurine 6-O-Methyltransferase

(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  MET-166   ALA-167  15.4 15.7 3.2 0.4 36.5 17.2 6.0  ALA-167   ASN-168  16.7 17.1 -3.6 9.3 131.4 119.5 14.1  ASN-168   ASP-169  14.3 15.4 -15.6 12.5 73.7 80.2 1.7  ASP-169   THR-170  11.3 12.0 -7.1 8.0 98.8 122.6 -0.4  THR-170   ARG-171  12.3 12.4 -6.9 4.5 163.7 165.4 -6.5  ARG-171   LEU-172  12.3 12.7 9.4 9.7 81.9 80.6 21.6  LEU-172   ILE-173  8.7 9.5 10.4 -41.8 113.7 80.5 -26.2  ILE-173   MET-174  7.9 7.6 42.7 -9.9 58.8 48.2 80.1 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  ILE-287   LEU-288  3.9 3.7 7.1 -13.6 73.3 72.7 28.5  LEU-288   ASP-289  3.4 2.9 -1.5 62.5 89.8 88.7 -41.4  ASP-289   VAL-290  7.0 6.5 51.2 -28.6 83.7 29.7 72.0  VAL-290   LYS-291  8.7 8.6 6.9 -43.8 109.4 92.0 -26.2  LYS-291   SER-292  12.0 11.8 -59.0 -6.2 2.2 44.9 292.0  SER-292   GLU-293  10.9 11.7 14.3 -1.5 116.4 98.4 -15.0  GLU-293   HIS-294  12.4 10.8 125.0 -58.5 134.3 162.0 -275.9 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  GLY-313   LYS-314  9.0 9.4 19.2 -20.5 90.1 90.1 23.4  LYS-314   GLU-315  5.3 5.7 -3.5 8.3 149.0 157.8 7.7  GLU-315   ARG-316  3.2 3.6 8.1 -18.7 111.1 107.4 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