| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
F |
65 |
18 |
7185 |
◊ |
D |
x,y,z |
1_555 |
79 |
23 |
7076 |
725.8 |
-9.8 |
0.180 |
8 |
4 |
0 |
0.763 |
2 |
|
F |
79 |
23 |
7185 |
◊ |
E |
x,y,z |
1_555 |
63 |
17 |
7083 |
720.6 |
-9.9 |
0.168 |
8 |
4 |
0 |
0.763 |
3 |
|
B |
64 |
17 |
7078 |
◊ |
A |
x,y,z |
1_555 |
73 |
23 |
7483 |
718.4 |
-9.8 |
0.222 |
8 |
4 |
0 |
0.763 |
4 |
|
C |
77 |
24 |
7064 |
◊ |
A |
x,y,z |
1_555 |
68 |
19 |
7483 |
712.7 |
-10.3 |
0.217 |
8 |
4 |
0 |
0.763 |
5 |
|
E |
75 |
24 |
7083 |
◊ |
D |
x,y,z |
1_555 |
67 |
19 |
7076 |
711.4 |
-9.5 |
0.233 |
8 |
4 |
0 |
0.763 |
6 |
|
C |
66 |
18 |
7064 |
◊ |
B |
x,y,z |
1_555 |
73 |
23 |
7078 |
708.2 |
-10.0 |
0.191 |
8 |
4 |
0 |
0.763 |
| Average: |
716.2 |
-9.9 |
0.202 |
8 |
4 |
0 |
0.763 |
| 2 |
7 |
|
F |
44 |
12 |
7185 |
◊ |
D |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
49 |
18 |
7076 |
387.9 |
-1.1 |
0.562 |
5 |
7 |
0 |
0.000 |
| 3 |
8 |
|
F |
34 |
11 |
7185 |
◊ |
B |
x,y,z |
1_555 |
38 |
14 |
7078 |
324.0 |
-1.3 |
0.647 |
0 |
0 |
0 |
0.000 |
9 |
|
E |
33 |
12 |
7083 |
◊ |
A |
x,y,z |
1_555 |
30 |
11 |
7483 |
293.0 |
-2.5 |
0.557 |
0 |
0 |
0 |
0.000 |
10 |
|
D |
31 |
11 |
7076 |
◊ |
C |
x,y,z |
1_555 |
32 |
11 |
7064 |
281.8 |
-2.3 |
0.545 |
0 |
0 |
0 |
0.000 |
| Average: |
299.6 |
-2.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| 4 |
11 |
|
B |
37 |
11 |
7078 |
◊ |
A |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
29 |
7 |
7483 |
279.4 |
-3.9 |
0.412 |
1 |
0 |
0 |
0.000 |
| 5 |
12 |
|
F |
24 |
9 |
7185 |
◊ |
E |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
27 |
11 |
7083 |
233.8 |
0.1 |
0.724 |
1 |
2 |
0 |
0.000 |
| 6 |
13 |
|
C |
20 |
8 |
7064 |
◊ |
E |
-y+1/2,x-1/2,z+1/4 |
3_545 |
22 |
8 |
7083 |
203.7 |
-4.3 |
0.197 |
0 |
0 |
0 |
0.000 |
| 7 |
14 |
|
[PEG]B:146 |
7 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
7078 |
149.6 |
2.4 |
0.428 |
3 |
0 |
0 |
0.000 |
| 8 |
15 |
|
[GOL]B:145 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
27 |
17 |
7078 |
142.5 |
-0.6 |
0.545 |
4 |
0 |
0 |
0.185 |
| 9 |
16 |
|
[GOL]E:146 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
26 |
14 |
7083 |
137.2 |
-1.4 |
0.509 |
3 |
0 |
0 |
0.054 |
| 10 |
17 |
|
[GOL]C:145 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
24 |
14 |
7064 |
132.3 |
-1.7 |
0.470 |
4 |
0 |
0 |
0.062 |
| 11 |
18 |
|
[GOL]E:145 |
6 |
1 |
222 |
f |
E |
x,y,z |
1_555 |
25 |
16 |
7083 |
132.0 |
-0.4 |
0.634 |
4 |
0 |
0 |
0.096 |
19 |
|
[GOL]A:145 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
26 |
16 |
7483 |
131.5 |
-0.7 |
0.569 |
4 |
0 |
0 |
0.096 |
20 |
|
[GOL]C:146 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
27 |
17 |
7064 |
129.5 |
-0.7 |
0.564 |
5 |
0 |
0 |
0.096 |
| Average: |
131.0 |
-0.6 |
0.589 |
4 |
0 |
0 |
0.096 |
| 12 |
21 |
|
[GOL]F:146 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
22 |
13 |
7185 |
130.6 |
-1.2 |
0.478 |
1 |
0 |
0 |
0.040 |
| 13 |
22 |
|
[GOL]F:145 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
22 |
15 |
7185 |
130.6 |
-0.7 |
0.591 |
2 |
0 |
0 |
0.038 |
| 14 |
23 |
|
[GOL]A:146 |
6 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
24 |
13 |
7483 |
130.3 |
-1.5 |
0.557 |
2 |
0 |
0 |
0.044 |
| 15 |
24 |
|
[GOL]D:147 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
24 |
13 |
7076 |
129.9 |
-1.7 |
0.466 |
4 |
0 |
0 |
0.061 |
| 16 |
25 |
|
[GOL]D:146 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
26 |
16 |
7076 |
129.5 |
-0.6 |
0.561 |
4 |
0 |
0 |
0.042 |
| 17 |
26 |
|
A |
6 |
1 |
7483 |
x |
A |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
8 |
1 |
7483 |
52.3 |
-0.8 |
0.477 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[CL]D:145 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
7076 |
43.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.178 |
28 |
|
[CL]D:145 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
7083 |
36.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.178 |
29 |
|
[CL]D:145 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
3 |
7185 |
29.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.178 |
| Average: |
36.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.178 |
| 19 |
30 |
|
[GOL]F:146 |
5 |
1 |
219 |
f |
[GOL]F:145 |
x,y,z |
1_555 |
4 |
1 |
219 |
41.7 |
-0.4 |
0.523 |
1 |
0 |
0 |
0.022 |
| 20 |
31 |
|
[GOL]A:146 |
3 |
1 |
214 |
f |
[GOL]A:145 |
x,y,z |
1_555 |
4 |
1 |
222 |
38.6 |
-0.1 |
0.535 |
1 |
0 |
0 |
0.010 |
| 21 |
32 |
|
[GOL]D:147 |
4 |
1 |
217 |
f |
[GOL]D:146 |
x,y,z |
1_555 |
5 |
1 |
220 |
38.0 |
0.4 |
0.602 |
1 |
0 |
0 |
0.000 |
| 22 |
33 |
|
[GOL]C:146 |
5 |
1 |
218 |
f |
[GOL]C:145 |
x,y,z |
1_555 |
4 |
1 |
217 |
37.4 |
0.3 |
0.594 |
1 |
0 |
0 |
0.002 |
| 23 |
34 |
|
[GOL]E:146 |
5 |
1 |
220 |
f |
[GOL]E:145 |
x,y,z |
1_555 |
4 |
1 |
222 |
36.7 |
-0.2 |
0.484 |
0 |
0 |
0 |
0.003 |
| 24 |
35 |
|
E |
5 |
3 |
7083 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
7064 |
21.4 |
-0.3 |
0.522 |
0 |
0 |
0 |
0.000 |
36 |
|
D |
4 |
3 |
7076 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
7078 |
15.2 |
0.3 |
0.758 |
0 |
0 |
0 |
0.000 |
37 |
|
F |
4 |
3 |
7185 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
7483 |
13.4 |
0.3 |
0.753 |
0 |
0 |
0 |
0.000 |
| Average: |
16.7 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
F |
1 |
1 |
7185 |
◊ |
A |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
2 |
1 |
7483 |
12.5 |
-0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
|