Urease Alpha Subunit

(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-308   VAL-309  8.8 8.7 -0.3 1.9 110.0 108.4 12.1  VAL-309   ASN-310  10.8 10.6 0.4 -0.5 84.8 86.4 -15.0  ASN-310   THR-311  8.5 8.2 0.7 2.7 48.4 50.3 3.8  THR-311   ILE-312  5.7 5.4 -2.3 5.1 143.1 140.0 15.1  ILE-312   ASP-313  7.2 6.7 6.6 -9.2 100.1 100.4 -27.8  ASP-313   GLU-314  9.4 9.0 10.3 -9.1 106.2 104.4 -25.9  GLU-314   HIS-315  7.0 6.8 23.7 -2.3 39.1 39.4 124.0  HIS-315   LEU-316  5.0 5.2 7.3 2.5 45.4 53.5 57.9 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  ASP-337   SER-338  7.6 7.1 -0.3 6.5 63.7 62.9 -61.2  SER-338   ARG-339  4.6 4.3 -3.1 21.0 126.4 123.7 54.2  ARG-339   ILE-340  2.3 1.8 19.8 -4.9 31.1 43.7 78.2  ILE-340   ARG-341  3.7 3.6 -2.9 -6.9 78.1 77.5 18.3  ARG-341   PRO-342  6.1 5.9 4.0 -5.5 46.6 44.4 -7.9  PRO-342   GLU-343  8.8 8.6 -5.5 6.5 66.8 68.9 12.4 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