Non-Ribosomal Peptide Synthetase Modules
(All numbering and residues are taken from first PDB file)
Bending Residue Dihedral Analysis
Residue
iResidue
i+1Distance of hinge axis to residue i in
(A) Distance of hinge axis to residue i in
(A) Change in
(deg) Change in
(deg) Angle of psi(i) axis to hinge axis
(deg) Angle of psi(i) axis to hinge axis
(deg) Percentage Progress
ILE-176
LEU-177
2.9
3.3
-7.9
10.8
99.0
103.3
18.5
LEU-177
GLN-178
5.7
5.8
-11.3
-11.4
64.9
73.8
10.7
GLN-178
LEU-179
4.9
4.9
12.9
0.3
40.4
51.0
55.6
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
iResidue
i+1Distance of hinge axis to residue i in
(A) Distance of hinge axis to residue i in
(A) Change in
(deg) Change in
(deg) Angle of psi(i) axis to hinge axis
(deg) Angle of psi(i) axis to hinge axis
(deg) Percentage Progress
LYS-273
VAL-274
12.1
11.9
-140.7
120.6
104.6
90.4
-72.5
VAL-274
ARG-275
11.1
10.6
-82.3
-12.0
158.8
145.1
-644.0
ARG-275
PHE-276
11.4
9.6
-22.6
12.6
90.2
134.9
-14.6
PHE-276
GLY-277
10.9
10.9
132.6
-58.1
25.0
45.4
433.9
GLY-277
ALA-278
10.0
9.7
-130.1
10.3
109.0
91.9
-205.6
ALA-278
ASP-279
6.4
5.9
-158.2
1.3
136.3
43.6
221.7
ASP-279
ARG-280
6.1
5.5
36.1
39.1
103.8
82.8
230.2
ARG-280
HIS-281
5.1
7.9
172.4
-36.7
171.0
68.0
-585.2
HIS-281
ILE-282
6.1
5.7
-118.6
-12.0
71.1
61.4
431.4
ILE-282
PRO-283
3.7
3.7
-10.4
1.7
40.8
38.8
44.0
PRO-283
GLY-284
6.3
6.3
2.6
57.6
145.1
139.4
-413.9
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
iResidue
i+1Distance of hinge axis to residue i in
(A) Distance of hinge axis to residue i in
(A) Change in
(deg) Change in
(deg) Angle of psi(i) axis to hinge axis
(deg) Angle of psi(i) axis to hinge axis
(deg) Percentage Progress
MET-285
LYS-286
4.1
4.8
4.7
-51.4
60.4
95.4
874.9
LYS-286
SER-287
6.5
5.7
174.9
14.6
101.0
56.3
-117.7
SER-287
ASN-288
9.8
9.0
-6.1
-20.6
139.3
149.0
-143.7
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
iResidue
i+1Distance of hinge axis to residue i in
(A) Distance of hinge axis to residue i in
(A) Change in
(deg) Change in
(deg) Angle of psi(i) axis to hinge axis
(deg) Angle of psi(i) axis to hinge axis
(deg) Percentage Progress
VAL-346
MET-347
22.4
21.2
1.2
35.1
37.9
45.7
186.7
MET-347
PRO-348
21.1
19.6
-58.1
-9.8
118.0
148.1
-332.1
PRO-348
PHE-349
22.7
21.0
-111.8
-37.3
78.3
133.6
-262.1
PHE-349
ASP-350
23.3
19.2
-12.3
23.1
128.6
113.2
88.2
ASP-350
LEU-351
20.8
21.1
-15.6
-22.6
131.7
63.3
12.1
LEU-351
ASP-352
22.0
22.9
-150.4
-28.1
79.5
129.8
499.6
ASP-352
LEU-353
24.0
24.1
-6.3
-31.2
132.1
117.5
-119.0
LEU-353
SER-354
22.7
22.6
5.2
-1.2
59.3
51.5
-6.3
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
iResidue
i+1Distance of hinge axis to residue i in
(A) Distance of hinge axis to residue i in
(A) Change in
(deg) Change in
(deg) Angle of psi(i) axis to hinge axis
(deg) Angle of psi(i) axis to hinge axis
(deg) Percentage Progress
PRO-369
ALA-370
13.6
13.7
-18.0
-29.2
94.4
97.1
-122.8
ALA-370
GLU-371
15.5
16.5
-40.2
41.3
113.0
154.3
-60.3
GLU-371
ASP-372
14.6
15.0
-124.7
162.9
107.0
124.0
56.1
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