Xylose Reductase

(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
 VAL-212   THR-213  17.3 17.3 1.4 -3.5 63.6 63.7 -54.3
 THR-213   ILE-214  15.0 15.0 0.7 -1.5 127.9 129.3 16.4
 ILE-214   THR-215  12.2 12.2 -4.1 5.5 116.3 116.9 -4.2
 THR-215   ALA-216  12.4 12.5 -4.3 9.5 45.9 45.9 -122.9
 ALA-216   TYR-217  10.2 10.2 5.9 0.9 91.3 94.1 -119.6
 TYR-217   SER-218  12.1 12.1 5.0 -159.3 127.0 119.5 2482.6
 SER-218   SER-219  11.3 11.9 29.2 -30.9 106.0 68.1 3.0
 SER-219   PHE-220  15.1 9.4 32.0 -9.0 137.5 97.4 -214.2
 LEU-239   PHE-240  12.0 12.0 9.9 2.7 25.8 30.6 266.5
 PHE-240   ALA-241  14.2 14.4 1.1 -7.6 92.9 91.5 54.1
 ALA-241   HIS-242  16.5 16.4 0.7 0.9 113.5 114.7 -30.8
 HIS-242   ASP-243  14.1 13.9 -12.9 6.9 126.8 130.0 -276.0
 ASP-243   THR-244  15.5 15.4 4.6 0.8 53.5 54.8 128.3
 THR-244   ILE-245  12.3 12.3 3.9 0.9 41.3 41.0 91.3

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
 TRP-263   ALA-264  1.8 1.7 8.8 -7.9 73.4 73.8 23.4
 ALA-264   ALA-265  3.8 3.8 7.9 -7.8 139.4 142.5 -15.7
 ALA-265   GLN-266  5.2 5.1 -2.1 5.4 71.1 69.8 18.1
 GLN-266   ARG-267  3.3 3.1 3.6 -6.7 51.7 56.4 -10.5
 ARG-267   GLY-268  5.3 5.4 -1.3 -1.8 90.2 89.3 35.3
 GLY-268   ILE-269  8.2 8.3 12.6 -10.7 58.0 50.7 -3.2
 ILE-269   ALA-270  8.3 8.4 -3.8 4.4 61.0 62.1 17.5
 ALA-270   VAL-271  10.8 10.8 -4.3 9.4 120.4 119.7 217.2
 VAL-271   ILE-272  10.9 11.0 -1.1 -18.3 78.4 76.7 334.7
 ILE-272   PRO-273  13.9 14.3 -45.5 -2.7 92.2 103.9 -296.2
 PRO-273   LYS-274  14.0 14.7 25.1 -47.5 50.0 99.7 -481.0
 LYS-274   SER-275  15.9 18.3 57.9 61.6 101.2 92.1 -744.8
 SER-275   ASN-276  18.9 20.2 -164.5 -126.8 25.2 71.0 -1647.9
 ASN-276   LEU-277  18.9 24.0 -54.2 -50.1 77.7 37.9 1632.5
 LEU-277   PRO-278  21.8 23.5 -5.1 -22.6 9.6 35.2 836.6
 PRO-278   GLU-279  23.5 22.8 -7.5 11.3 51.9 71.1 -147.6
 GLU-279   ARG-280  22.1 20.7 -7.0 31.9 84.4 119.0 176.6
 ARG-280   LEU-281  18.5 18.2 -46.6 -1.2 84.1 78.9 126.6
 LEU-281   VAL-282  18.8 18.7 19.3 -8.3 125.0 137.2 -113.9
 VAL-282   GLN-283  16.6 16.8 -9.6 8.2 107.7 106.4 16.1
 GLN-283   ASN-284  14.4 14.3 -7.8 10.7 133.1 118.6 -1.9
 ASN-284   ARG-285  13.4 13.3 -10.4 7.1 72.6 62.1 18.1
 ARG-285   SER-286  12.6 12.6 -5.0 -3.8 43.2 46.9 243.9
 SER-286   PHE-287  10.2 10.2 18.9 -18.1 75.6 67.9 -109.3
 PHE-287   ASN-288  7.8 7.9 -2.8 3.9 80.1 79.6 -137.6
 ASN-288   THR-289  4.5 4.6 4.3 -9.8 147.0 144.1 164.6
 THR-289   PHE-290  4.4 4.8 20.2 -23.2 78.0 76.7 -30.4
 PHE-290   ASP-291  4.0 4.3 -10.0 6.7 136.4 135.4 -176.4
 ASP-291   LEU-292  3.5 3.7 5.3 -1.6 44.6 43.9 137.0

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
 LEU-303   ASP-304  6.8 6.6 0.0 -0.4 127.6 129.3 -23.7
 ASP-304   ILE-305  3.4 3.3 7.5 -8.3 10.1 11.8 78.6
 ILE-305   GLY-306  4.0 3.6 -5.7 0.6 120.3 116.1 -103.3
 GLY-306   LEU-307  1.9 1.8 -3.5 3.6 111.2 110.2 -1.5

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