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
LEU-177
GLN-178
5.9
6.3
-0.5
-15.8
76.5
75.8
0.6
GLN-178
LEU-179
3.8
4.1
19.5
-1.3
32.0
46.3
87.1
LEU-179
LEU-180
2.5
1.5
-1.9
-5.0
129.8
141.8
-41.1
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
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
LEU-268
GLY-269
19.7
19.6
7.8
-0.1
55.5
57.9
17.7
GLY-269
LEU-270
16.6
16.5
11.6
-1.2
20.9
25.9
60.4
LEU-270
PRO-271
16.9
16.9
-10.2
17.6
121.8
120.3
24.1
PRO-271
VAL-272
14.0
14.2
10.4
-19.2
158.7
159.0
51.5
PRO-271
VAL-272
14.0
14.2
10.4
-19.2
158.7
159.0
51.5
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-271
VAL-272
14.0
14.2
10.4
-19.2
158.7
159.0
51.5
PRO-271
VAL-272
14.0
14.2
10.4
-19.2
158.7
159.0
51.5
VAL-272
LYS-273
13.6
13.4
11.7
9.0
119.6
116.5
-213.3
LYS-273
VAL-274
11.2
11.1
-137.9
115.9
72.5
85.6
85.8
VAL-274
ARG-275
9.8
9.3
-91.3
-8.5
15.9
30.4
777.9
ARG-275
PHE-276
10.2
8.7
-34.2
33.2
86.2
47.3
-64.0
PHE-276
GLY-277
9.3
9.7
134.0
-64.5
157.7
139.5
-461.8
GLY-277
ALA-278
8.3
8.5
-139.0
28.0
70.9
85.4
217.7
ALA-278
ASP-279
5.2
4.8
-142.3
8.9
55.8
136.9
-474.7
ASP-279
ARG-280
6.2
4.6
-4.0
62.7
96.8
86.6
-126.3
ARG-280
HIS-281
5.7
7.9
-168.9
-48.7
168.1
66.1
581.0
HIS-281
ILE-282
7.1
6.5
-101.9
-23.7
105.7
114.0
-348.6
ILE-282
PRO-283
4.9
5.0
-5.4
4.1
139.9
143.4
2.1
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
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
GLY-284
MET-285
6.6
6.6
-144.5
-30.9
106.5
135.3
-1002.3
MET-285
LYS-286
4.3
5.6
4.2
-37.3
63.8
94.8
71.9
LYS-286
SER-287
6.5
5.0
151.7
38.1
90.2
51.7
823.5
SER-287
ASN-288
8.9
8.1
18.5
-47.3
33.8
31.6
-161.8
ASN-288
THR-289
9.3
9.0
56.6
-45.9
68.1
66.4
-29.2
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
ARG-321
TYR-322
10.8
10.1
2.7
-18.2
153.6
155.7
53.2
TYR-322
PRO-323
11.1
10.7
0.2
2.7
118.8
132.0
-12.3
PRO-323
SER-324
8.0
8.0
-11.9
-4.8
25.2
29.5
134.5
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
GLU-325
ALA-326
5.9
6.8
-1.1
1.4
103.8
96.1
16.0
ALA-326
LEU-327
7.8
8.3
0.1
6.4
60.8
69.4
39.2
LEU-327
ARG-328
10.8
11.5
-1.8
10.3
162.4
174.2
65.1
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
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
21.9
20.6
-0.5
44.2
147.8
139.1
274.8
MET-347
PRO-348
21.2
19.5
-52.0
-11.5
109.9
143.7
-281.4
PRO-348
PHE-349
23.5
21.1
-117.5
-33.8
84.4
137.8
-401.2
PHE-349
ASP-350
23.9
19.6
-23.2
26.3
141.8
111.1
36.9
ASP-350
LEU-351
21.8
22.0
-17.1
-20.4
131.2
65.4
64.7
LEU-351
ASP-352
23.4
23.9
-159.4
-16.8
88.5
130.9
676.0
ASP-352
LEU-353
25.0
25.3
-20.5
-34.4
136.0
122.4
-322.4
LEU-353
SER-354
24.0
24.2
4.3
-5.8
61.3
52.2
25.3
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
ASP-372
LEU-373
16.1
16.9
-15.5
0.6
64.4
57.5
51.9
LEU-373
MET-374
19.1
19.7
3.4
-3.5
163.4
156.8
8.7
MET-374
LEU-375
19.1
19.4
5.2
4.0
113.7
118.2
-11.8
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