Citrate Synthase

(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
 PRO-217   ARG-218  14.9 14.1 6.7 4.0 54.3 62.0 -3.0
 ARG-218   HIS-219  16.3 16.0 -17.4 34.7 148.0 147.5 45.2
 HIS-219   GLY-220  14.0 14.0 105.5 -140.7 98.0 102.8 2.1
 GLY-220   GLY-221  10.5 11.0 -40.8 65.3 26.0 16.7 -74.4
 GLY-221   ALA-222  9.5 11.4 -34.3 -4.0 73.0 64.7 24.0
 ALA-222   ASN-223  9.0 10.3 17.7 32.0 122.4 97.9 -104.2
 ASN-223   GLU-224  5.5 6.7 -60.5 -7.1 19.4 15.3 220.6
 GLU-224   ALA-225  6.2 6.6 14.9 2.6 128.4 129.5 -42.2

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
 VAL-270   LEU-271  9.7 9.0 -8.9 3.2 138.8 136.9 -24.6
 LEU-271   GLU-272  9.8 10.1 4.6 5.4 82.5 94.3 12.1
 GLU-272   LYS-273  13.5 13.6 2.0 -4.9 60.2 65.5 -5.5
 LYS-273   LEU-274  14.4 14.0 6.4 0.6 11.6 1.3 29.9
 LEU-274   ALA-275  12.4 12.7 -8.1 2.5 120.5 109.7 -18.3
 ALA-275   ARG-276  13.9 15.0 -0.2 -0.6 102.7 89.3 -4.0
 ARG-276   LEU-277  17.3 17.8 5.4 -8.0 37.0 37.5 -8.0
 LEU-277   VAL-278  16.6 17.3 -5.7 7.1 150.7 147.9 0.7
 VAL-278   ALA-279  15.3 17.0 5.1 0.3 78.0 93.3 -9.7
 ALA-279   GLU-280  18.5 20.2 -3.4 -4.6 109.6 106.3 -0.5
 VAL-270   LEU-271  8.8 7.9 -8.9 3.2 33.8 29.2 13.1
 LEU-271   GLU-272  6.9 6.0 4.6 5.4 134.8 135.4 -20.5
 GLU-272   LYS-273  9.8 9.1 2.0 -4.9 79.8 84.6 -3.9
 LYS-273   LEU-274  12.2 10.8 6.4 0.6 100.2 106.9 -19.1
 LEU-274   ALA-275  10.7 8.6 -8.1 2.5 14.2 3.8 23.1
 ALA-275   ARG-276  9.9 7.9 -0.2 -0.6 65.3 66.3 -0.4
 ARG-276   LEU-277  13.4 11.7 5.4 -8.0 79.8 89.9 -2.2
 LEU-277   VAL-278  15.0 12.7 -5.7 7.1 54.7 46.1 5.5
 VAL-278   ALA-279  13.6 10.7 5.1 0.3 157.7 152.3 -22.3
 ALA-279   GLU-280  14.0 11.4 -3.4 -4.6 85.5 75.5 -5.9
 SER-285   LYS-286  10.9 10.9 -169.6 -2.1 57.1 65.5 334.0
 VAL-270   LEU-271  9.7 9.0 -8.9 3.2 138.8 136.9 -24.6
 LEU-271   GLU-272  9.8 10.1 4.6 5.4 82.5 94.3 12.1
 GLU-272   LYS-273  13.5 13.6 2.0 -4.9 60.2 65.5 -5.5
 LYS-273   LEU-274  14.4 14.0 6.4 0.6 11.6 1.3 29.9
 LEU-274   ALA-275  12.4 12.7 -8.1 2.5 120.5 109.7 -18.3
 ALA-275   ARG-276  13.9 15.0 -0.2 -0.6 102.7 89.3 -4.0
 ARG-276   LEU-277  17.3 17.8 5.4 -8.0 37.0 37.5 -8.0
 LEU-277   VAL-278  16.6 17.3 -5.7 7.1 150.7 147.9 0.7
 VAL-278   ALA-279  15.3 17.0 5.1 0.3 78.0 93.3 -9.7
 ALA-279   GLU-280  18.5 20.2 -3.4 -4.6 109.6 106.3 -0.5
 VAL-270   LEU-271  8.8 7.9 -8.9 3.2 33.8 29.2 13.1
 LEU-271   GLU-272  6.9 6.0 4.6 5.4 134.8 135.4 -20.5
 GLU-272   LYS-273  9.8 9.1 2.0 -4.9 79.8 84.6 -3.9
 LYS-273   LEU-274  12.2 10.8 6.4 0.6 100.2 106.9 -19.1
 LEU-274   ALA-275  10.7 8.6 -8.1 2.5 14.2 3.8 23.1
 ALA-275   ARG-276  9.9 7.9 -0.2 -0.6 65.3 66.3 -0.4
 ARG-276   LEU-277  13.4 11.7 5.4 -8.0 79.8 89.9 -2.2
 LEU-277   VAL-278  15.0 12.7 -5.7 7.1 54.7 46.1 5.5
 VAL-278   ALA-279  13.6 10.7 5.1 0.3 157.7 152.3 -22.3
 ALA-279   GLU-280  14.0 11.4 -3.4 -4.6 85.5 75.5 -5.9
 SER-285   LYS-286  10.9 10.9 -169.6 -2.1 57.1 65.5 334.0
 LYS-286   GLU-287  9.5 9.7 0.5 5.3 60.4 60.4 2.6

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
 SER-315   GLY-316  2.1 1.8 1.4 4.2 32.5 38.1 16.0
 GLY-316   VAL-317  0.9 0.6 0.9 13.4 65.5 71.9 23.0
 VAL-317   VAL-318  3.8 3.4 -4.8 -9.1 55.8 54.9 19.5
 VAL-318   TYR-319  4.8 4.0 0.9 0.6 77.3 78.5 -0.2
 TYR-319   SER-320  4.4 4.1 1.3 0.3 25.6 30.5 7.7

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