Beta-Secretase 1

(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
 LEU-188   TRP-189  8.6 8.7 -18.4 8.4 25.0 25.9 191.6
 TRP-189   TYR-190  9.0 9.4 19.9 -10.2 130.5 127.8 -49.6
 TYR-190   THR-191  7.2 7.5 2.0 3.8 157.0 157.4 -50.2
 THR-191   PRO-192  5.9 6.1 3.3 -2.8 62.8 61.8 -58.1
 THR-191   PRO-192  5.9 6.1 3.3 -2.8 62.8 61.8 -58.1

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
 THR-191   PRO-192  5.9 6.1 3.3 -2.8 62.8 61.8 -58.1
 THR-191   PRO-192  5.9 6.1 3.3 -2.8 62.8 61.8 -58.1
 PRO-192   ILE-193  5.0 5.2 0.7 -1.2 80.4 80.0 60.6
 ILE-193   ARG-194  2.4 2.6 3.6 -3.4 9.7 8.2 53.1
 ARG-194   ARG-195  1.7 2.0 8.3 -12.6 61.9 61.1 -93.9

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
 GLU-196   TRP-197  6.8 6.9 8.5 -3.0 75.1 73.2 36.1
 TRP-197   TYR-198  8.3 8.2 -4.1 5.8 40.5 39.2 -4.4
 TYR-198   TYR-199  7.5 7.4 6.9 -3.7 112.4 112.4 17.9
 TYR-199   GLU-200  4.5 4.3 -3.5 5.6 115.3 117.8 -84.6

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
 TYR-222   ASP-223  11.7 11.4 -0.2 172.6 82.3 68.3 994.4
 ASP-223   LYS-224  10.1 10.0 78.6 2.9 125.6 122.4 -602.0
 LYS-224   SER-225  7.9 7.7 4.5 -5.1 151.8 153.0 41.0

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
 ILE-226   VAL-227  7.0 6.6 7.3 -7.4 11.6 11.7 -9.8
 VAL-227   ASP-228  6.4 6.1 3.1 -3.7 73.2 76.6 47.1
 ASP-228   SER-229  9.5 9.3 -2.3 2.1 158.7 156.3 6.1

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
 ILE-337   MET-338  11.3 11.0 -2.8 4.9 54.9 55.3 17.4
 MET-338   GLU-339  8.1 7.9 -9.1 -9.3 8.1 5.8 385.6
 GLU-339   GLY-340  9.7 9.4 31.4 -3.7 121.5 109.3 -268.3
 GLY-340   PHE-341  9.7 9.7 -19.5 -6.7 99.0 87.4 -54.1
 PHE-341   TYR-342  6.5 6.3 4.6 2.1 99.8 103.4 15.6
 TYR-342   VAL-343  2.8 2.7 12.5 -14.4 20.7 22.5 -8.6
 VAL-343   VAL-344  1.4 1.1 4.3 -5.6 85.9 83.3 67.0
 VAL-343   VAL-344  1.4 1.1 4.3 -5.6 85.9 83.3 67.0

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
 VAL-343   VAL-344  1.4 1.1 4.3 -5.6 85.9 83.3 67.0
 VAL-343   VAL-344  1.4 1.1 4.3 -5.6 85.9 83.3 67.0
 VAL-344   PHE-345  2.3 2.6 -3.8 -0.3 159.9 159.6 -53.7
 PHE-345   ASP-346  4.0 4.2 2.5 -3.1 80.8 82.5 26.5

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

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
 ARG-349   LYS-350  10.3 10.5 3.7 -3.7 127.4 124.0 34.0
 LYS-350   ARG-351  7.3 7.4 3.1 -6.8 78.3 74.6 12.3
 ARG-351   ILE-352  5.1 5.3 -0.6 -5.1 137.2 143.5 -39.3
 ILE-352   GLY-353  2.4 2.8 -1.0 3.3 123.6 122.9 -24.3
 GLY-353   PHE-354  4.1 4.4 5.6 -4.4 59.8 62.4 36.4
 GLY-353   PHE-354  4.1 4.4 5.6 -4.4 59.8 62.4 36.4

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
 GLY-353   PHE-354  4.1 4.4 5.6 -4.4 59.8 62.4 36.4
 GLY-353   PHE-354  4.1 4.4 5.6 -4.4 59.8 62.4 36.4
 PHE-354   ALA-355  5.2 5.3 -2.1 2.8 136.2 135.6 -114.0
 ALA-355   VAL-356  6.8 7.0 -12.4 16.8 123.5 120.2 57.2
 VAL-356   SER-357  8.3 8.4 8.5 -2.5 46.0 46.2 113.8

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
 CYS-359   HIS-360  7.4 7.4 -33.8 11.1 50.8 55.5 163.1
 HIS-360   VAL-361  10.3 10.3 9.0 1.8 63.5 52.5 61.4
 VAL-361   HIS-362  13.8 13.8 38.9 -5.9 91.3 96.5 -174.7
 HIS-362   ASP-363  15.7 15.9 24.3 -18.0 89.0 101.6 39.7
 ASP-363   GLU-364  19.4 19.5 -1.0 1.1 128.8 134.1 78.2
 GLU-364   PHE-365  21.8 21.9 10.7 -8.7 113.9 102.8 -69.9
 PHE-365   ARG-366  23.2 23.0 -12.6 10.2 35.8 43.7 -31.6
 ARG-366   THR-367  20.8 20.9 -12.0 21.1 102.2 97.5 -34.0
 THR-367   ALA-368  17.1 17.5 -6.0 13.0 29.8 28.5 -47.0
 ALA-368   ALA-369  14.4 14.7 17.1 -7.4 91.9 98.4 86.7
 ALA-369   VAL-370  13.5 13.9 -11.8 2.0 33.3 37.9 130.5

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