## |
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 |
|
B |
177 |
51 |
13972 |
◊ |
A |
x,y,z |
1_555 |
185 |
52 |
14528 |
1748.4 |
-13.8 |
0.402 |
29 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
41 |
11 |
13972 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
43 |
10 |
14528 |
375.2 |
0.4 |
0.816 |
8 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
18 |
4 |
13972 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
10 |
13972 |
246.3 |
-3.0 |
0.201 |
2 |
0 |
0 |
0.000 |
4 |
|
A |
26 |
9 |
14528 |
x |
A |
-x,y-1/2,-z |
2_545 |
18 |
4 |
14528 |
236.5 |
-3.7 |
0.127 |
2 |
0 |
0 |
0.000 |
Average: |
241.4 |
-3.4 |
0.164 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
17 |
5 |
14528 |
◊ |
B |
x-1,y,z |
1_455 |
33 |
14 |
13972 |
212.3 |
2.5 |
0.870 |
4 |
3 |
0 |
0.000 |
5 |
6 |
|
[EDO]A:8 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
14528 |
116.2 |
3.4 |
0.483 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
[EDO]A:21 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
24 |
6 |
14528 |
113.2 |
3.4 |
0.482 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]A:3 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
14528 |
110.3 |
2.2 |
0.419 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]B:9 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
27 |
6 |
13972 |
109.5 |
3.5 |
0.504 |
3 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]B:18 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
11 |
13972 |
108.8 |
4.0 |
0.704 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
[IMD]A:25 |
5 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
14528 |
107.3 |
2.8 |
0.236 |
1 |
0 |
0 |
0.000 |
12 |
|
[IMD]B:26 |
5 |
1 |
197 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
13972 |
106.7 |
2.7 |
0.234 |
1 |
0 |
0 |
0.000 |
Average: |
107.0 |
2.8 |
0.235 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
[EDO]B:1 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
13972 |
105.9 |
2.3 |
0.406 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
[EDO]A:19 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
14528 |
105.1 |
2.5 |
0.474 |
3 |
0 |
0 |
0.000 |
13 |
15 |
|
[EDO]B:5 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
13972 |
104.7 |
2.1 |
0.434 |
2 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:12 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
14528 |
104.1 |
2.1 |
0.433 |
2 |
0 |
0 |
0.000 |
Average: |
104.4 |
2.1 |
0.434 |
2 |
0 |
0 |
0.000 |
14 |
17 |
|
[EDO]B:15 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13972 |
100.1 |
3.0 |
0.535 |
5 |
0 |
0 |
0.000 |
15 |
18 |
|
A |
11 |
6 |
14528 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
13972 |
96.3 |
-0.7 |
0.497 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[FUC]A:1 |
9 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14528 |
95.6 |
1.1 |
0.246 |
3 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]B:11 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13972 |
91.1 |
2.5 |
0.292 |
3 |
0 |
0 |
0.000 |
18 |
21 |
|
[EDO]B:20 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
13972 |
90.6 |
2.3 |
0.295 |
5 |
0 |
0 |
0.000 |
19 |
22 |
|
[EDO]A:7 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14528 |
90.3 |
2.4 |
0.297 |
3 |
0 |
0 |
0.000 |
20 |
23 |
|
A |
13 |
4 |
14528 |
◊ |
[GAL]A:2 |
x,y,z-1 |
1_554 |
8 |
1 |
303 |
90.3 |
2.0 |
0.442 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
[EDO]A:13 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
14528 |
88.0 |
2.1 |
0.405 |
1 |
0 |
0 |
0.000 |
22 |
25 |
|
B |
13 |
5 |
13972 |
x |
B |
x-1,y,z |
1_455 |
9 |
2 |
13972 |
87.0 |
-1.3 |
0.345 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[EDO]B:14 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
13972 |
85.1 |
2.0 |
0.260 |
0 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:6 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
14528 |
80.2 |
1.8 |
0.267 |
0 |
0 |
0 |
0.000 |
Average: |
82.6 |
1.9 |
0.263 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[EDO]A:10 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
14528 |
83.6 |
2.3 |
0.302 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[IMD]A:24 |
5 |
1 |
197 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
14528 |
81.8 |
3.0 |
0.258 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[EDO]A:4 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
13972 |
81.7 |
2.1 |
0.233 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[IMD]B:23 |
5 |
1 |
196 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13972 |
79.5 |
2.6 |
0.248 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[EDO]A:17 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
14528 |
79.0 |
1.3 |
0.190 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[EDO]A:17 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
13972 |
78.5 |
0.8 |
0.175 |
1 |
0 |
0 |
0.000 |
30 |
34 |
|
[EDO]A:22 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
14528 |
77.6 |
2.8 |
0.557 |
1 |
0 |
0 |
0.000 |
31 |
35 |
|
[EDO]B:16 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
13972 |
72.3 |
2.0 |
0.297 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[EDO]A:10 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
13972 |
71.0 |
2.2 |
0.235 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[EDO]B:14 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
14528 |
69.5 |
1.2 |
0.641 |
0 |
0 |
0 |
0.000 |
38 |
|
[EDO]A:6 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
13972 |
62.9 |
1.0 |
0.220 |
0 |
0 |
0 |
0.000 |
Average: |
66.2 |
1.1 |
0.430 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[FUC]A:1 |
6 |
1 |
281 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13972 |
68.6 |
1.2 |
0.407 |
1 |
0 |
0 |
0.000 |
35 |
40 |
|
[EDO]A:854 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14528 |
65.4 |
1.1 |
0.783 |
2 |
0 |
0 |
0.000 |
36 |
41 |
|
[EDO]B:16 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
14528 |
64.9 |
1.6 |
0.245 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[GAL]A:2 |
5 |
1 |
303 |
cf |
[FUC]A:1 |
x,y,z |
1_555 |
7 |
1 |
281 |
60.0 |
2.2 |
0.159 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
A |
6 |
4 |
14528 |
x |
A |
x,y,z-1 |
1_554 |
6 |
2 |
14528 |
58.6 |
0.5 |
0.782 |
1 |
0 |
0 |
0.000 |
39 |
44 |
|
A |
8 |
2 |
14528 |
◊ |
[FUC]A:1 |
x,y,z-1 |
1_554 |
5 |
1 |
281 |
47.0 |
0.8 |
0.321 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[EDO]A:4 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
14528 |
38.8 |
1.1 |
0.620 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[EDO]A:22 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
13972 |
37.0 |
1.7 |
0.340 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[IMD]A:24 |
2 |
1 |
197 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
13972 |
36.6 |
1.4 |
0.355 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[EDO]A:13 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
13972 |
35.9 |
0.5 |
0.843 |
1 |
0 |
0 |
0.000 |
44 |
49 |
|
[IMD]B:23 |
2 |
1 |
196 |
◊ |
[EDO]A:22 |
x,y,z |
1_555 |
4 |
1 |
187 |
34.9 |
1.6 |
0.400 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[EDO]A:854 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
13972 |
34.8 |
1.5 |
0.895 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[IMD]B:23 |
3 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
14528 |
34.4 |
1.0 |
0.211 |
0 |
0 |
0 |
0.000 |
47 |
52 |
|
[EDO]A:3 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
13972 |
33.6 |
0.5 |
0.453 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
[GAL]A:2 |
3 |
1 |
303 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13972 |
32.9 |
0.4 |
0.369 |
0 |
0 |
0 |
0.000 |
49 |
54 |
|
[EDO]B:16 |
3 |
1 |
184 |
f |
[EDO]A:854 |
x,y,z |
1_555 |
2 |
1 |
184 |
31.3 |
1.4 |
0.707 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
[EDO]B:1 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
14528 |
31.0 |
0.5 |
0.326 |
0 |
0 |
0 |
0.000 |
51 |
56 |
|
[EDO]A:854 |
2 |
1 |
184 |
f |
[EDO]A:6 |
x,y,z |
1_555 |
2 |
1 |
185 |
20.4 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
52 |
57 |
|
[EDO]A:13 |
2 |
1 |
183 |
f |
[EDO]A:12 |
x,y,z |
1_555 |
2 |
1 |
184 |
20.2 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
[IMD]A:24 |
2 |
1 |
197 |
f |
[EDO]A:22 |
x,y,z |
1_555 |
2 |
1 |
187 |
17.7 |
0.8 |
0.400 |
0 |
0 |
0 |
0.000 |
54 |
59 |
|
[IMD]B:26 |
2 |
1 |
197 |
f |
[EDO]A:4 |
x,y,z |
1_555 |
2 |
1 |
183 |
15.7 |
0.8 |
0.346 |
0 |
0 |
0 |
0.000 |
55 |
60 |
|
[EDO]B:5 |
2 |
1 |
185 |
f |
[EDO]A:4 |
x,y,z |
1_555 |
2 |
1 |
183 |
13.8 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
56 |
61 |
|
[IMD]A:25 |
2 |
1 |
198 |
f |
[EDO]A:13 |
x,y,z |
1_555 |
2 |
1 |
183 |
12.3 |
0.7 |
0.346 |
0 |
0 |
0 |
0.000 |
57 |
62 |
|
[IMD]A:24 |
2 |
1 |
197 |
f |
B |
x-1,y,z |
1_455 |
2 |
1 |
13972 |
7.5 |
0.2 |
0.165 |
0 |
0 |
0 |
0.000 |
58 |
63 |
|
[GAL]A:2 |
2 |
1 |
303 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
14528 |
7.5 |
0.2 |
0.444 |
0 |
0 |
0 |
0.000 |
59 |
64 |
|
[EDO]B:14 |
2 |
1 |
185 |
f |
[EDO]A:3 |
x,y,z |
1_555 |
2 |
1 |
183 |
5.4 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
65 |
|
[EDO]B:1 |
2 |
1 |
184 |
f |
[EDO]A:6 |
x,y,z |
1_555 |
2 |
1 |
185 |
5.3 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
Average: |
5.4 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
[EDO]A:12 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
13972 |
3.2 |
0.1 |
0.869 |
0 |
0 |
0 |
0.000 |
67 |
|
[EDO]B:5 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
14528 |
2.3 |
0.1 |
0.854 |
0 |
0 |
0 |
0.000 |
Average: |
2.8 |
0.1 |
0.861 |
0 |
0 |
0 |
0.000 |
61 |
68 |
|
[EDO]B:1 |
1 |
1 |
184 |
f |
[EDO]A:854 |
x,y,z |
1_555 |
1 |
1 |
184 |
3.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
62 |
69 |
|
[IMD]B:23 |
1 |
1 |
196 |
f |
[GAL]A:2 |
x,y,z |
1_555 |
1 |
1 |
303 |
1.2 |
0.1 |
0.183 |
0 |
0 |
0 |
0.000 |
|