| ## |
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 |
|
A |
52 |
15 |
18135 |
x |
A |
x-1,y,z |
1_455 |
49 |
17 |
18135 |
478.9 |
-5.2 |
0.346 |
6 |
7 |
0 |
0.000 |
2 |
|
B |
45 |
14 |
17831 |
x |
B |
x-1,y,z |
1_455 |
37 |
13 |
17831 |
439.2 |
-5.3 |
0.237 |
5 |
7 |
0 |
0.000 |
| Average: |
459.1 |
-5.2 |
0.292 |
6 |
7 |
0 |
0.000 |
| 2 |
3 |
|
[C8E]A:405 |
19 |
1 |
601 |
f |
A |
x,y,z |
1_555 |
37 |
12 |
18135 |
243.0 |
0.9 |
0.281 |
0 |
0 |
0 |
0.000 |
| 3 |
4 |
|
[PGV]A:407 |
22 |
1 |
676 |
f |
B |
-x,y-1/2,-z |
2_545 |
29 |
10 |
17831 |
241.1 |
-1.5 |
0.356 |
2 |
0 |
0 |
0.009 |
| 4 |
5 |
|
A |
30 |
8 |
18135 |
x |
A |
x,y,z-1 |
1_554 |
21 |
6 |
18135 |
236.3 |
-0.8 |
0.667 |
8 |
1 |
0 |
0.000 |
| 5 |
6 |
|
[PGV]B:408 |
18 |
1 |
611 |
◊ |
B |
x,y,z |
1_555 |
40 |
11 |
17831 |
218.6 |
4.2 |
0.425 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[PGV]A:409 |
18 |
1 |
586 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
18135 |
212.9 |
2.4 |
0.379 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[PGV]B:408 |
19 |
1 |
611 |
f |
B |
x-1,y,z |
1_455 |
29 |
10 |
17831 |
209.9 |
0.9 |
0.208 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[PGV]A:408 |
18 |
1 |
549 |
f |
A |
x,y,z |
1_555 |
30 |
8 |
18135 |
208.5 |
-0.9 |
0.366 |
3 |
0 |
0 |
0.006 |
| 9 |
10 |
|
A |
41 |
11 |
18135 |
f |
[PGV]A:409 |
x-1,y,z |
1_455 |
16 |
1 |
586 |
206.6 |
1.9 |
0.396 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[C8E]B:404 |
15 |
1 |
590 |
f |
B |
x,y,z |
1_555 |
37 |
11 |
17831 |
201.8 |
-2.7 |
0.218 |
0 |
0 |
0 |
0.010 |
| 11 |
12 |
|
[BDP]A:401 |
13 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
31 |
15 |
18135 |
198.8 |
4.0 |
0.650 |
10 |
0 |
0 |
0.005 |
13 |
|
[BDP]B:401 |
13 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
31 |
15 |
17831 |
197.0 |
3.1 |
0.561 |
10 |
0 |
0 |
0.005 |
| Average: |
197.9 |
3.5 |
0.605 |
10 |
0 |
0 |
0.005 |
| 12 |
14 |
|
A |
20 |
6 |
18135 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
20 |
6 |
17831 |
198.7 |
-2.5 |
0.342 |
4 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[C8E]B:406 |
12 |
1 |
404 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
17831 |
198.0 |
2.9 |
0.083 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[C8E]B:404 |
19 |
1 |
590 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
18135 |
197.1 |
0.2 |
0.217 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[C8E]B:405 |
15 |
1 |
547 |
f |
B |
x,y,z |
1_555 |
27 |
7 |
17831 |
191.6 |
-0.6 |
0.140 |
4 |
0 |
0 |
0.009 |
| 16 |
18 |
|
B |
29 |
10 |
17831 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
18135 |
179.3 |
-2.4 |
0.276 |
3 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[C8E]B:407 |
13 |
1 |
496 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
18135 |
171.3 |
2.0 |
0.440 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[C8E]A:406 |
13 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
18135 |
170.2 |
-3.0 |
0.405 |
0 |
0 |
0 |
0.008 |
| 19 |
21 |
|
A |
20 |
8 |
18135 |
◊ |
[C8E]A:406 |
x-1,y,z |
1_455 |
11 |
1 |
399 |
147.8 |
-2.5 |
0.367 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[C8E]B:407 |
10 |
1 |
496 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
17831 |
140.6 |
-4.4 |
0.203 |
0 |
0 |
0 |
0.017 |
| 21 |
23 |
|
[C8E]A:404 |
9 |
1 |
371 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
18135 |
132.6 |
3.4 |
0.021 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[C8E]B:405 |
11 |
1 |
547 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
18135 |
125.3 |
3.2 |
0.360 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
B |
16 |
5 |
17831 |
x |
B |
x,y,z-1 |
1_554 |
13 |
5 |
17831 |
123.5 |
-1.8 |
0.363 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
B |
14 |
5 |
17831 |
◊ |
[C8E]B:406 |
x-1,y,z |
1_455 |
11 |
1 |
404 |
119.0 |
2.8 |
0.068 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
A |
14 |
4 |
18135 |
◊ |
[C8E]A:405 |
x-1,y,z |
1_455 |
11 |
1 |
601 |
108.4 |
1.4 |
0.352 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
18135 |
105.0 |
-17.9 |
0.669 |
7 |
0 |
0 |
0.057 |
| 27 |
29 |
|
[PGV]A:407 |
12 |
1 |
676 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
18135 |
90.6 |
-0.5 |
0.276 |
1 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[C8E]A:404 |
9 |
1 |
371 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
17831 |
90.5 |
2.1 |
0.003 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[PGV]A:408 |
12 |
1 |
549 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
7 |
3 |
17831 |
89.0 |
0.4 |
0.299 |
1 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[SO4]B:402 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
17831 |
84.3 |
-10.4 |
0.917 |
2 |
0 |
0 |
0.042 |
| 31 |
33 |
|
[SO4]A:403 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
18135 |
81.7 |
-9.5 |
0.959 |
3 |
0 |
0 |
0.030 |
| 32 |
34 |
|
[SO4]B:403 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17831 |
66.5 |
-8.3 |
0.925 |
3 |
0 |
0 |
0.036 |
| 33 |
35 |
|
[C8E]A:404 |
6 |
1 |
371 |
f |
[C8E]B:404 |
x,y,z |
1_555 |
6 |
1 |
590 |
52.5 |
3.5 |
0.015 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[C8E]B:405 |
6 |
1 |
547 |
f |
[C8E]B:404 |
x,y,z |
1_555 |
5 |
1 |
590 |
45.4 |
1.2 |
0.282 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[C8E]A:406 |
4 |
1 |
399 |
f |
[C8E]A:405 |
x,y,z |
1_555 |
6 |
1 |
601 |
40.6 |
-1.5 |
0.344 |
0 |
0 |
0 |
0.004 |
| 36 |
38 |
|
[C8E]B:407 |
4 |
1 |
496 |
f |
[C8E]B:404 |
x,y,z |
1_555 |
6 |
1 |
590 |
30.8 |
-0.8 |
0.297 |
0 |
0 |
0 |
0.003 |
| 37 |
39 |
|
A |
1 |
1 |
18135 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
3 |
17831 |
26.8 |
-0.5 |
0.200 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[C8E]B:407 |
2 |
1 |
496 |
f |
[C8E]B:405 |
x,y,z |
1_555 |
1 |
1 |
547 |
24.2 |
-0.6 |
0.249 |
0 |
0 |
0 |
0.002 |
| 39 |
41 |
|
[SO4]B:402 |
1 |
1 |
185 |
f |
[BDP]B:401 |
x,y,z |
1_555 |
2 |
1 |
307 |
5.9 |
-0.8 |
0.537 |
0 |
0 |
0 |
0.003 |
| 40 |
42 |
|
[SO4]A:402 |
1 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
17831 |
5.7 |
-0.8 |
0.492 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
B |
2 |
1 |
17831 |
x |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
17831 |
4.5 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
A |
1 |
1 |
18135 |
◊ |
[SO4]A:402 |
x,y,z-1 |
1_554 |
1 |
1 |
185 |
1.5 |
-0.2 |
0.858 |
0 |
0 |
0 |
0.000 |
|