| ## |
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 |
135 |
37 |
5893 |
◊ |
C |
x,y,z |
1_555 |
127 |
36 |
5899 |
1263.2 |
-17.6 |
0.041 |
13 |
0 |
0 |
0.361 |
2 |
|
B |
129 |
36 |
5879 |
◊ |
A |
x,y,z |
1_555 |
133 |
36 |
5976 |
1259.7 |
-18.3 |
0.024 |
12 |
0 |
0 |
0.361 |
| Average: |
1261.5 |
-18.0 |
0.033 |
13 |
0 |
0 |
0.361 |
| 2 |
3 |
|
C |
49 |
14 |
5899 |
◊ |
B |
x,y,z |
1_555 |
51 |
14 |
5879 |
486.9 |
-1.4 |
0.596 |
12 |
0 |
0 |
0.083 |
4 |
|
D |
49 |
14 |
5893 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
5976 |
480.6 |
-1.2 |
0.603 |
12 |
0 |
0 |
0.083 |
| Average: |
483.8 |
-1.3 |
0.600 |
12 |
0 |
0 |
0.083 |
| 3 |
5 |
|
C |
41 |
15 |
5899 |
◊ |
B |
x-1,y,z |
1_455 |
38 |
13 |
5879 |
387.1 |
-2.0 |
0.502 |
8 |
0 |
0 |
0.089 |
| 4 |
6 |
|
A |
27 |
9 |
5976 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
12 |
5899 |
313.6 |
1.1 |
0.716 |
5 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
33 |
13 |
5976 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
32 |
10 |
5893 |
293.9 |
1.4 |
0.836 |
3 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
21 |
7 |
5976 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
21 |
8 |
5879 |
204.2 |
1.9 |
0.879 |
5 |
0 |
0 |
0.000 |
| 7 |
9 |
|
C |
21 |
10 |
5899 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
5976 |
200.9 |
-2.4 |
0.281 |
2 |
4 |
0 |
0.048 |
10 |
|
D |
22 |
11 |
5893 |
◊ |
B |
x,y,z |
1_555 |
21 |
11 |
5879 |
198.0 |
-2.3 |
0.276 |
2 |
4 |
0 |
0.048 |
| Average: |
199.4 |
-2.3 |
0.279 |
2 |
4 |
0 |
0.048 |
| 8 |
11 |
|
D |
20 |
9 |
5893 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
5 |
5879 |
145.0 |
-0.8 |
0.501 |
1 |
0 |
0 |
0.008 |
| 9 |
12 |
|
[FUC]A:1115 |
11 |
1 |
287 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
5976 |
136.1 |
1.9 |
0.310 |
1 |
0 |
0 |
0.000 |
13 |
|
[FUC]B:1115 |
10 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
5879 |
126.9 |
1.9 |
0.336 |
2 |
0 |
0 |
0.000 |
14 |
|
[FUC]C:1118 |
10 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
22 |
12 |
5899 |
126.1 |
1.9 |
0.340 |
2 |
0 |
0 |
0.000 |
15 |
|
[FUC]D:1115 |
10 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
21 |
12 |
5893 |
124.7 |
1.9 |
0.341 |
2 |
0 |
0 |
0.000 |
| Average: |
128.4 |
1.9 |
0.331 |
2 |
0 |
0 |
0.000 |
| 10 |
16 |
|
C |
12 |
6 |
5899 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
7 |
5976 |
108.6 |
-1.3 |
0.404 |
0 |
0 |
0 |
0.008 |
| 11 |
17 |
|
[NAG]D:1116 |
9 |
1 |
363 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
5893 |
102.5 |
1.9 |
0.359 |
2 |
0 |
0 |
0.000 |
18 |
|
[NAG]B:1116 |
9 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
5879 |
99.8 |
1.9 |
0.333 |
2 |
0 |
0 |
0.000 |
| Average: |
101.1 |
1.9 |
0.346 |
2 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[NAG]C:1119 |
9 |
1 |
359 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
5899 |
99.3 |
1.9 |
0.371 |
2 |
0 |
0 |
0.000 |
| 13 |
20 |
|
A |
10 |
3 |
5976 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
6 |
5879 |
87.9 |
0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[SO4]C:1115 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
5899 |
70.2 |
-9.9 |
0.790 |
4 |
0 |
0 |
0.187 |
| 15 |
22 |
|
[T45]C:1120 |
4 |
1 |
279 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
10 |
4 |
5893 |
69.0 |
1.9 |
0.517 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[SO4]C:1115 |
4 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
5 |
5879 |
67.2 |
-10.3 |
0.679 |
2 |
0 |
0 |
0.180 |
| 17 |
24 |
|
[T45]B:1117 |
7 |
1 |
275 |
cf |
[NAG]B:1116 |
x,y,z |
1_555 |
7 |
1 |
360 |
66.0 |
2.1 |
0.022 |
0 |
0 |
0 |
0.000 |
25 |
|
[T45]D:1117 |
7 |
1 |
279 |
cf |
[NAG]D:1116 |
x,y,z |
1_555 |
8 |
1 |
363 |
64.9 |
2.2 |
0.059 |
0 |
0 |
0 |
0.000 |
| Average: |
65.5 |
2.1 |
0.041 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[T45]C:1120 |
6 |
1 |
279 |
cf |
[NAG]C:1119 |
x,y,z |
1_555 |
9 |
1 |
359 |
66.0 |
2.0 |
0.067 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[NAG]C:1119 |
6 |
1 |
359 |
cf |
[FUC]C:1118 |
x,y,z |
1_555 |
7 |
1 |
279 |
62.0 |
1.4 |
0.123 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[NAG]B:1116 |
6 |
1 |
360 |
cf |
[FUC]B:1115 |
x,y,z |
1_555 |
7 |
1 |
280 |
61.9 |
1.4 |
0.113 |
0 |
0 |
0 |
0.000 |
29 |
|
[NAG]D:1116 |
6 |
1 |
363 |
cf |
[FUC]D:1115 |
x,y,z |
1_555 |
6 |
1 |
279 |
61.2 |
1.4 |
0.148 |
0 |
0 |
0 |
0.000 |
| Average: |
61.5 |
1.4 |
0.130 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
B |
4 |
1 |
5879 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
10 |
4 |
5893 |
54.0 |
0.2 |
0.695 |
1 |
0 |
0 |
0.000 |
| 22 |
31 |
|
A |
3 |
2 |
5976 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
5893 |
53.0 |
-0.2 |
0.442 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
D |
9 |
4 |
5893 |
◊ |
C |
x,y,z-1 |
1_554 |
7 |
3 |
5899 |
47.7 |
0.4 |
0.742 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[NAG]C:1119 |
4 |
1 |
359 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
8 |
3 |
5893 |
46.8 |
1.7 |
0.579 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[FUC]A:1115 |
5 |
1 |
287 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
5893 |
44.2 |
0.6 |
0.292 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[FUC]A:1115 |
4 |
1 |
287 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5879 |
34.2 |
0.4 |
0.322 |
0 |
0 |
0 |
0.000 |
36 |
|
[FUC]B:1115 |
4 |
1 |
280 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5976 |
33.6 |
0.3 |
0.309 |
0 |
0 |
0 |
0.000 |
37 |
|
[FUC]C:1118 |
4 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5893 |
33.2 |
0.3 |
0.312 |
0 |
0 |
0 |
0.000 |
38 |
|
[FUC]D:1115 |
4 |
1 |
279 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5899 |
32.2 |
0.3 |
0.311 |
0 |
0 |
0 |
0.000 |
| Average: |
33.3 |
0.3 |
0.313 |
0 |
0 |
0 |
0.000 |
| 27 |
39 |
|
[CA]A:1117 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
5976 |
28.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.244 |
40 |
|
[CA]C:1117 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
5899 |
28.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.244 |
41 |
|
[CA]D:1119 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
5893 |
28.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.244 |
42 |
|
[CA]B:1118 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
5879 |
28.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.244 |
| Average: |
28.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.244 |
| 28 |
43 |
|
[CA]C:1116 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
5899 |
25.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.190 |
44 |
|
[CA]A:1116 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
5976 |
25.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.190 |
45 |
|
[CA]D:1118 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
5893 |
25.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.190 |
46 |
|
[CA]B:1119 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
6 |
5879 |
25.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.190 |
| Average: |
25.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.190 |
| 29 |
47 |
|
[CA]A:1117 |
1 |
1 |
85 |
f |
[FUC]A:1115 |
x,y,z |
1_555 |
3 |
1 |
287 |
23.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.113 |
48 |
|
[CA]B:1118 |
1 |
1 |
85 |
f |
[FUC]B:1115 |
x,y,z |
1_555 |
3 |
1 |
280 |
22.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.113 |
49 |
|
[CA]D:1119 |
1 |
1 |
85 |
f |
[FUC]D:1115 |
x,y,z |
1_555 |
4 |
1 |
279 |
22.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.113 |
50 |
|
[CA]C:1117 |
1 |
1 |
85 |
f |
[FUC]C:1118 |
x,y,z |
1_555 |
3 |
1 |
279 |
22.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
22.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.113 |
| 30 |
51 |
|
[CA]A:1116 |
1 |
1 |
85 |
f |
[FUC]A:1115 |
x,y,z |
1_555 |
4 |
1 |
287 |
22.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.109 |
52 |
|
[CA]B:1119 |
1 |
1 |
85 |
f |
[FUC]B:1115 |
x,y,z |
1_555 |
3 |
1 |
280 |
21.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.109 |
53 |
|
[CA]C:1116 |
1 |
1 |
85 |
f |
[FUC]C:1118 |
x,y,z |
1_555 |
4 |
1 |
279 |
21.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.109 |
54 |
|
[CA]D:1118 |
1 |
1 |
85 |
f |
[FUC]D:1115 |
x,y,z |
1_555 |
3 |
1 |
279 |
20.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.109 |
| Average: |
21.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.109 |
| 31 |
55 |
|
C |
3 |
1 |
5899 |
◊ |
[T45]B:1117 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
275 |
20.9 |
0.5 |
0.558 |
0 |
0 |
0 |
0.000 |
| 32 |
56 |
|
[CA]C:1116 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5893 |
18.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.065 |
57 |
|
[CA]B:1119 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5976 |
17.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.065 |
58 |
|
[CA]D:1118 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5899 |
17.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.065 |
59 |
|
[CA]A:1116 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5879 |
17.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
17.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.065 |
| 33 |
60 |
|
A |
2 |
1 |
5976 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
5976 |
8.9 |
0.3 |
0.754 |
0 |
0 |
0 |
0.000 |
| 34 |
61 |
|
A |
1 |
1 |
5976 |
◊ |
[FUC]D:1115 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
279 |
8.1 |
-0.0 |
0.275 |
0 |
0 |
0 |
0.000 |
| 35 |
62 |
|
[SO4]C:1115 |
2 |
1 |
185 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
2 |
5893 |
7.4 |
-0.8 |
0.801 |
0 |
0 |
0 |
0.000 |
| 36 |
63 |
|
[T45]C:1120 |
2 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
5899 |
7.3 |
0.3 |
0.389 |
0 |
0 |
0 |
0.000 |
| 37 |
64 |
|
[CA]C:1117 |
1 |
1 |
85 |
f |
[CA]C:1116 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.034 |
| 38 |
65 |
|
[CA]B:1119 |
1 |
1 |
85 |
f |
[CA]B:1118 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.033 |
| 39 |
66 |
|
[CA]D:1119 |
1 |
1 |
85 |
f |
[CA]D:1118 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.029 |
| 40 |
67 |
|
[CA]A:1117 |
1 |
1 |
85 |
f |
[CA]A:1116 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.032 |
| 41 |
68 |
|
[T45]D:1117 |
2 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
5893 |
6.8 |
0.3 |
0.434 |
0 |
0 |
0 |
0.000 |
69 |
|
[T45]B:1117 |
2 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
5879 |
6.0 |
0.2 |
0.289 |
0 |
0 |
0 |
0.000 |
| Average: |
6.4 |
0.3 |
0.361 |
0 |
0 |
0 |
0.000 |
| 42 |
70 |
|
[NAG]C:1119 |
1 |
1 |
359 |
f |
[CA]C:1117 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
71 |
|
[NAG]B:1116 |
1 |
1 |
360 |
f |
[CA]B:1118 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
72 |
|
[NAG]D:1116 |
1 |
1 |
363 |
f |
[CA]D:1119 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
1.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 43 |
73 |
|
C |
1 |
1 |
5899 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
5893 |
0.2 |
0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
|