| ## |
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 |
|
D |
244 |
68 |
16973 |
◊ |
C |
x,y,z |
1_555 |
235 |
64 |
16652 |
2377.9 |
-34.3 |
0.003 |
23 |
2 |
0 |
0.321 |
2 |
|
B |
236 |
68 |
17263 |
◊ |
A |
x,y,z |
1_555 |
240 |
63 |
16520 |
2321.5 |
-35.2 |
0.002 |
20 |
2 |
0 |
0.321 |
| Average: |
2349.7 |
-34.8 |
0.002 |
22 |
2 |
0 |
0.321 |
| 2 |
3 |
|
A |
52 |
15 |
16520 |
◊ |
C |
-x+1,y-1,-z+1 |
2_646 |
57 |
19 |
16652 |
519.0 |
2.7 |
0.768 |
7 |
2 |
0 |
0.000 |
| 3 |
4 |
|
B |
56 |
17 |
17263 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
55 |
17 |
17263 |
518.2 |
0.4 |
0.697 |
4 |
4 |
0 |
0.000 |
5 |
|
D |
52 |
14 |
16973 |
◊ |
D |
-x+1,y,-z+2 |
2_657 |
50 |
14 |
16973 |
478.8 |
-1.2 |
0.560 |
4 |
2 |
0 |
0.000 |
| Average: |
498.5 |
-0.4 |
0.628 |
4 |
3 |
0 |
0.000 |
| 4 |
6 |
|
[WSA]A:1350 |
36 |
1 |
711 |
f |
A |
x,y,z |
1_555 |
69 |
29 |
16520 |
481.0 |
-0.3 |
0.430 |
8 |
0 |
0 |
0.074 |
7 |
|
[WSA]C:1352 |
37 |
1 |
710 |
f |
C |
x,y,z |
1_555 |
67 |
29 |
16652 |
478.8 |
-0.1 |
0.476 |
12 |
0 |
0 |
0.074 |
8 |
|
[WSA]D:1353 |
36 |
1 |
718 |
f |
D |
x,y,z |
1_555 |
69 |
30 |
16973 |
473.0 |
-0.2 |
0.484 |
11 |
0 |
0 |
0.074 |
9 |
|
[WSA]B:1351 |
36 |
1 |
713 |
f |
B |
x,y,z |
1_555 |
68 |
29 |
17263 |
472.1 |
0.2 |
0.516 |
8 |
0 |
0 |
0.074 |
| Average: |
476.2 |
-0.1 |
0.476 |
10 |
0 |
0 |
0.074 |
| 5 |
10 |
|
B |
40 |
14 |
17263 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
53 |
18 |
16520 |
417.8 |
-3.5 |
0.282 |
2 |
0 |
0 |
0.000 |
11 |
|
D |
41 |
14 |
16973 |
◊ |
C |
-x,y,-z+2 |
2_557 |
40 |
12 |
16652 |
322.3 |
-1.9 |
0.471 |
3 |
0 |
0 |
0.000 |
| Average: |
370.1 |
-2.7 |
0.376 |
3 |
0 |
0 |
0.000 |
| 6 |
12 |
|
A |
32 |
11 |
16520 |
x |
A |
x,y-1,z |
1_545 |
23 |
7 |
16520 |
236.0 |
1.7 |
0.724 |
2 |
1 |
0 |
0.000 |
13 |
|
C |
27 |
8 |
16652 |
x |
C |
x,y-1,z |
1_545 |
31 |
12 |
16652 |
232.4 |
1.0 |
0.718 |
1 |
2 |
0 |
0.000 |
14 |
|
B |
22 |
7 |
17263 |
x |
B |
x,y-1,z |
1_545 |
31 |
10 |
17263 |
224.3 |
0.4 |
0.614 |
1 |
2 |
0 |
0.000 |
15 |
|
D |
24 |
9 |
16973 |
x |
D |
x,y-1,z |
1_545 |
24 |
7 |
16973 |
212.2 |
1.2 |
0.730 |
0 |
1 |
0 |
0.000 |
| Average: |
226.2 |
1.1 |
0.696 |
1 |
2 |
0 |
0.000 |
| 7 |
16 |
|
D |
20 |
7 |
16973 |
◊ |
C |
-x,y-1,-z+2 |
2_547 |
21 |
6 |
16652 |
162.2 |
0.1 |
0.633 |
2 |
0 |
0 |
0.000 |
17 |
|
A |
17 |
7 |
16520 |
◊ |
B |
-x+2,y-1,-z+1 |
2_746 |
12 |
6 |
17263 |
105.5 |
-0.1 |
0.604 |
1 |
0 |
0 |
0.000 |
| Average: |
133.9 |
0.0 |
0.619 |
2 |
0 |
0 |
0.000 |
| 8 |
18 |
|
A |
14 |
4 |
16520 |
◊ |
B |
-x+1,y-1,-z+1 |
2_646 |
11 |
3 |
17263 |
114.1 |
-1.4 |
0.322 |
0 |
0 |
0 |
0.000 |
19 |
|
D |
12 |
3 |
16973 |
◊ |
C |
-x+1,y-1,-z+2 |
2_647 |
14 |
4 |
16652 |
110.3 |
-1.5 |
0.318 |
0 |
0 |
0 |
0.000 |
| Average: |
112.2 |
-1.5 |
0.320 |
0 |
0 |
0 |
0.000 |
| 9 |
20 |
|
[SO4]B:1361 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
17263 |
103.6 |
-14.1 |
0.861 |
3 |
0 |
0 |
0.111 |
| 10 |
21 |
|
[SO4]D:1365 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
16973 |
103.3 |
-14.7 |
0.761 |
5 |
0 |
0 |
0.119 |
| 11 |
22 |
|
[SO4]C:1366 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
16652 |
100.1 |
-14.1 |
0.820 |
3 |
0 |
0 |
0.109 |
| 12 |
23 |
|
[SO4]A:1363 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
16520 |
97.0 |
-13.6 |
0.778 |
2 |
0 |
0 |
0.105 |
| 13 |
24 |
|
[SO4]C:1367 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
16652 |
92.6 |
-13.0 |
0.882 |
4 |
0 |
0 |
0.105 |
| 14 |
25 |
|
[SO4]A:1362 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
16520 |
91.9 |
-13.0 |
0.863 |
3 |
0 |
0 |
0.104 |
| 15 |
26 |
|
[SO4]B:1360 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
17263 |
89.9 |
-13.7 |
0.762 |
6 |
0 |
0 |
0.118 |
| 16 |
27 |
|
[SO4]D:1364 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
16973 |
89.9 |
-13.0 |
0.871 |
3 |
0 |
0 |
0.101 |
| 17 |
28 |
|
A |
13 |
4 |
16520 |
◊ |
B |
x,y-1,z |
1_545 |
10 |
2 |
17263 |
82.7 |
-0.2 |
0.552 |
1 |
0 |
0 |
0.000 |
29 |
|
D |
6 |
3 |
16973 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
1 |
16652 |
60.8 |
-0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
| Average: |
71.7 |
-0.2 |
0.549 |
1 |
0 |
0 |
0.000 |
| 18 |
30 |
|
[WSA]D:1353 |
8 |
1 |
718 |
f |
[SO4]D:1364 |
x,y,z |
1_555 |
5 |
1 |
185 |
52.6 |
-5.4 |
0.771 |
0 |
0 |
0 |
0.038 |
| 19 |
31 |
|
[WSA]C:1352 |
9 |
1 |
710 |
f |
[SO4]C:1367 |
x,y,z |
1_555 |
5 |
1 |
187 |
52.0 |
-5.2 |
0.776 |
0 |
0 |
0 |
0.037 |
| 20 |
32 |
|
[WSA]A:1350 |
6 |
1 |
711 |
f |
[SO4]A:1362 |
x,y,z |
1_555 |
5 |
1 |
186 |
51.6 |
-5.2 |
0.800 |
0 |
0 |
0 |
0.037 |
| 21 |
33 |
|
[WSA]B:1351 |
7 |
1 |
713 |
f |
[SO4]B:1360 |
x,y,z |
1_555 |
5 |
1 |
186 |
51.5 |
-5.4 |
0.770 |
0 |
0 |
0 |
0.039 |
| 22 |
34 |
|
C |
4 |
1 |
16652 |
◊ |
C |
-x,y,-z+2 |
2_557 |
4 |
1 |
16652 |
41.9 |
0.4 |
0.762 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
4 |
2 |
16520 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
4 |
2 |
16520 |
41.5 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
36 |
|
B |
7 |
2 |
17263 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
7 |
2 |
17263 |
25.7 |
-0.4 |
0.502 |
0 |
0 |
0 |
0.000 |
37 |
|
D |
1 |
1 |
16973 |
◊ |
D |
-x,y,-z+2 |
2_557 |
1 |
1 |
16973 |
1.4 |
-0.0 |
0.483 |
0 |
0 |
0 |
0.000 |
| Average: |
27.6 |
0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
| 23 |
38 |
|
[WSA]B:1351 |
6 |
1 |
713 |
f |
[SO4]B:1361 |
x,y,z |
1_555 |
4 |
1 |
187 |
41.3 |
-4.5 |
0.734 |
1 |
0 |
0 |
0.036 |
| 24 |
39 |
|
[WSA]A:1350 |
6 |
1 |
711 |
f |
[SO4]A:1363 |
x,y,z |
1_555 |
4 |
1 |
186 |
40.6 |
-4.9 |
0.720 |
1 |
0 |
0 |
0.038 |
| 25 |
40 |
|
[WSA]D:1353 |
4 |
1 |
718 |
f |
[SO4]D:1365 |
x,y,z |
1_555 |
4 |
1 |
186 |
40.3 |
-4.2 |
0.790 |
1 |
0 |
0 |
0.033 |
| 26 |
41 |
|
[WSA]C:1352 |
4 |
1 |
710 |
f |
[SO4]C:1366 |
x,y,z |
1_555 |
4 |
1 |
185 |
35.2 |
-4.1 |
0.758 |
1 |
0 |
0 |
0.032 |
| 27 |
42 |
|
B |
2 |
1 |
17263 |
◊ |
A |
-x+2,y-1,-z+1 |
2_746 |
3 |
1 |
16520 |
31.1 |
1.3 |
0.891 |
1 |
0 |
0 |
0.000 |
| 28 |
43 |
|
C |
4 |
1 |
16652 |
◊ |
D |
x,y-1,z |
1_545 |
2 |
1 |
16973 |
27.2 |
0.8 |
0.764 |
0 |
0 |
0 |
0.000 |
| 29 |
44 |
|
[SO4]A:1363 |
1 |
1 |
186 |
f |
[SO4]A:1362 |
x,y,z |
1_555 |
3 |
1 |
186 |
12.5 |
-3.0 |
0.891 |
0 |
0 |
0 |
0.021 |
| 30 |
45 |
|
[SO4]D:1365 |
1 |
1 |
186 |
f |
[SO4]D:1364 |
x,y,z |
1_555 |
2 |
1 |
185 |
11.1 |
-2.7 |
0.876 |
0 |
0 |
0 |
0.019 |
| 31 |
46 |
|
[SO4]C:1367 |
2 |
1 |
187 |
f |
[SO4]C:1366 |
x,y,z |
1_555 |
1 |
1 |
185 |
10.8 |
-2.6 |
0.876 |
0 |
0 |
0 |
0.018 |
| 32 |
47 |
|
[SO4]B:1361 |
1 |
1 |
187 |
f |
[SO4]B:1360 |
x,y,z |
1_555 |
2 |
1 |
186 |
10.0 |
-2.4 |
0.876 |
0 |
0 |
0 |
0.017 |
| 33 |
48 |
|
D |
2 |
1 |
16973 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
4 |
1 |
16652 |
9.6 |
0.5 |
0.798 |
0 |
0 |
0 |
0.000 |
| 34 |
49 |
|
B |
1 |
1 |
17263 |
x |
B |
-x+2,y-1,-z+1 |
2_746 |
2 |
1 |
17263 |
3.9 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
|