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