Protein (Pyruvate Kinase)

(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
 LYS-85   GLY-86  10.6 10.6 0.3 5.2 71.5 70.7 13.2
 GLY-86   PRO-87  7.2 7.2 -7.4 8.4 169.4 170.8 6.5
 PRO-87   GLU-88  5.3 5.4 -16.7 18.5 111.1 120.0 10.0
 GLU-88   ILE-89  5.8 6.1 15.9 -12.0 17.4 19.2 26.4
 ILE-89   ARG-90  4.8 5.0 20.8 -24.8 66.6 60.9 3.3
 ARG-90   THR-91  7.9 7.8 -23.2 34.4 161.9 169.9 88.7

Downloading Image

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
 ASN-178   LEU-179  8.8 8.8 -2.2 0.8 67.9 68.0 -1.0
 LEU-179   PRO-180  8.9 8.9 8.4 -21.0 40.9 43.0 9.2
 PRO-180   GLY-181  11.9 11.8 173.3 -163.1 72.4 92.5 15.1
 GLY-181   CYS-182  12.9 12.2 -40.2 34.9 69.4 63.3 -11.4
 CYS-182   ASP-183  10.1 9.6 -4.8 3.5 126.7 124.6 22.3
 ASP-183   VAL-184  8.6 8.1 3.9 -9.0 120.2 123.1 -13.7
 VAL-184   ASP-185  5.1 4.7 11.4 -5.8 66.1 62.4 30.7
 ASP-185   LEU-186  5.9 5.2 40.9 -32.6 93.5 93.6 26.5
 LEU-186   PRO-187  3.6 3.0 -6.3 -4.2 136.9 141.2 -66.8
 PRO-187   ALA-188  6.5 5.9 14.9 8.2 39.8 41.8 121.0
 ALA-188   VAL-189  5.9 5.6 -13.0 0.3 90.1 85.6 -24.9
 VAL-189   SER-190  8.9 8.4 28.0 -21.4 158.2 159.8 -28.5
 SER-190   ALA-191  9.6 9.6 -1.8 2.1 92.4 93.3 0.8
 ALA-191   LYS-192  13.3 13.2 1.0 7.0 59.7 61.0 31.6
 LYS-192   ASP-193  14.1 14.0 -12.6 11.8 172.4 173.1 -13.5
 ASP-193   ARG-194  12.4 12.3 -1.9 -3.8 112.5 114.3 -7.5

Downloading Image

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