| ## |
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 |
84 |
31 |
19900 |
◊ |
A |
x,y,z |
1_555 |
88 |
30 |
19693 |
784.8 |
-4.7 |
0.428 |
11 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
49 |
14 |
19900 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
54 |
15 |
19693 |
453.1 |
-2.9 |
0.457 |
4 |
1 |
0 |
0.000 |
| 3 |
3 |
|
B |
47 |
16 |
19900 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
47 |
16 |
19693 |
425.5 |
-6.3 |
0.138 |
6 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
42 |
13 |
19693 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
47 |
16 |
19693 |
417.5 |
-6.6 |
0.106 |
2 |
1 |
0 |
0.000 |
| 5 |
5 |
|
[DQR]B:800 |
28 |
1 |
643 |
f |
B |
x,y,z |
1_555 |
59 |
21 |
19900 |
385.2 |
-8.6 |
0.441 |
8 |
0 |
0 |
0.000 |
6 |
|
[DQR]A:800 |
28 |
1 |
631 |
f |
A |
x,y,z |
1_555 |
57 |
21 |
19693 |
383.3 |
-7.2 |
0.484 |
7 |
0 |
0 |
0.000 |
| Average: |
384.3 |
-7.9 |
0.463 |
8 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[NAG]B:547 |
12 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
21 |
10 |
19900 |
184.2 |
5.2 |
0.570 |
5 |
0 |
0 |
0.000 |
8 |
|
[NAG]A:553 |
12 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
22 |
10 |
19693 |
179.7 |
5.2 |
0.576 |
3 |
0 |
0 |
0.000 |
| Average: |
181.9 |
5.2 |
0.573 |
4 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[NAG]A:547 |
10 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
15 |
7 |
19693 |
131.4 |
4.0 |
0.538 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[NAG]B:550 |
10 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
13 |
7 |
19900 |
129.3 |
3.9 |
0.517 |
1 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[GOL]B:562 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
19900 |
123.0 |
-0.1 |
0.545 |
5 |
0 |
0 |
0.000 |
12 |
|
[GOL]A:561 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
19693 |
121.6 |
-0.2 |
0.590 |
4 |
0 |
0 |
0.000 |
| Average: |
122.3 |
-0.2 |
0.568 |
5 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[NAG]B:557 |
11 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
12 |
5 |
19900 |
113.4 |
2.4 |
0.288 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[FUC]B:556 |
8 |
1 |
281 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
11 |
6 |
19693 |
103.2 |
1.7 |
0.360 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[NAG]A:556 |
11 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
9 |
4 |
19693 |
96.8 |
2.1 |
0.282 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[NAG]B:553 |
8 |
1 |
355 |
cf |
B |
x,y,z |
1_555 |
14 |
3 |
19900 |
96.2 |
3.1 |
0.549 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[NAG]B:554 |
7 |
1 |
363 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
9 |
4 |
19693 |
94.8 |
2.5 |
0.485 |
1 |
0 |
0 |
0.000 |
18 |
|
B |
9 |
4 |
19900 |
◊ |
[NAG]A:550 |
-x+3/2,-y,z-1/2 |
2_654 |
7 |
1 |
366 |
92.8 |
2.5 |
0.503 |
1 |
0 |
0 |
0.000 |
| Average: |
93.8 |
2.5 |
0.494 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
B |
9 |
5 |
19900 |
◊ |
[FUC]A:552 |
-x+3/2,-y,z-1/2 |
2_654 |
5 |
1 |
280 |
90.6 |
1.5 |
0.501 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[FUC]A:559 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19693 |
88.4 |
2.1 |
0.391 |
1 |
0 |
0 |
0.000 |
21 |
|
[FUC]B:560 |
6 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
19900 |
86.8 |
2.1 |
0.507 |
1 |
0 |
0 |
0.000 |
| Average: |
87.6 |
2.1 |
0.449 |
1 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[NAG]A:549 |
8 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
12 |
2 |
19693 |
86.9 |
2.6 |
0.455 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[NAG]A:557 |
7 |
1 |
366 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
19693 |
83.4 |
2.4 |
0.490 |
2 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[FUC]A:552 |
7 |
1 |
280 |
cf |
[NAG]A:549 |
x,y,z |
1_555 |
7 |
1 |
361 |
74.6 |
2.6 |
0.172 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[NAG]A:550 |
9 |
1 |
366 |
cf |
[NAG]A:549 |
x,y,z |
1_555 |
6 |
1 |
361 |
72.3 |
2.0 |
0.114 |
0 |
0 |
0 |
0.000 |
26 |
|
[NAG]A:554 |
9 |
1 |
363 |
cf |
[NAG]A:553 |
x,y,z |
1_555 |
7 |
1 |
356 |
72.2 |
1.8 |
0.100 |
0 |
0 |
0 |
0.000 |
27 |
|
[NAG]B:548 |
11 |
1 |
365 |
cf |
[NAG]B:547 |
x,y,z |
1_555 |
6 |
1 |
359 |
70.2 |
1.5 |
0.069 |
0 |
0 |
0 |
0.000 |
28 |
|
[NAG]A:557 |
9 |
1 |
366 |
cf |
[NAG]A:556 |
x,y,z |
1_555 |
6 |
1 |
359 |
69.2 |
1.8 |
0.098 |
0 |
0 |
0 |
0.000 |
29 |
|
[NAG]B:558 |
8 |
1 |
365 |
cf |
[NAG]B:557 |
x,y,z |
1_555 |
6 |
1 |
362 |
67.9 |
1.8 |
0.109 |
0 |
0 |
0 |
0.000 |
| Average: |
70.4 |
1.8 |
0.098 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[FUC]B:560 |
7 |
1 |
281 |
cf |
[NAG]B:557 |
x,y,z |
1_555 |
7 |
1 |
362 |
71.5 |
2.4 |
0.157 |
0 |
0 |
0 |
0.000 |
31 |
|
[FUC]A:548 |
7 |
1 |
281 |
cf |
[NAG]A:547 |
x,y,z |
1_555 |
7 |
1 |
362 |
69.9 |
2.3 |
0.145 |
0 |
0 |
0 |
0.000 |
32 |
|
[FUC]A:559 |
7 |
1 |
280 |
cf |
[NAG]A:556 |
x,y,z |
1_555 |
7 |
1 |
359 |
67.0 |
2.1 |
0.123 |
0 |
0 |
0 |
0.000 |
| Average: |
69.5 |
2.3 |
0.142 |
0 |
0 |
0 |
0.000 |
| 22 |
33 |
|
[FUC]B:552 |
7 |
1 |
281 |
cf |
[NAG]B:550 |
x,y,z |
1_555 |
8 |
1 |
364 |
70.7 |
2.6 |
0.131 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[NAG]B:554 |
8 |
1 |
363 |
cf |
[NAG]B:553 |
x,y,z |
1_555 |
6 |
1 |
355 |
70.7 |
1.9 |
0.123 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
[NAG]B:551 |
10 |
1 |
366 |
cf |
[NAG]B:550 |
x,y,z |
1_555 |
6 |
1 |
364 |
69.0 |
1.8 |
0.087 |
0 |
0 |
0 |
0.000 |
| 25 |
36 |
|
[FUC]B:556 |
7 |
1 |
281 |
cf |
[NAG]B:553 |
x,y,z |
1_555 |
8 |
1 |
355 |
68.1 |
2.5 |
0.159 |
1 |
0 |
0 |
0.000 |
| 26 |
37 |
|
[BMA]B:555 |
5 |
1 |
291 |
cf |
[NAG]B:554 |
x,y,z |
1_555 |
6 |
1 |
363 |
66.5 |
1.8 |
0.163 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
[NAG]B:548 |
5 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
19900 |
66.4 |
1.1 |
0.385 |
0 |
0 |
0 |
0.000 |
39 |
|
[NAG]A:554 |
5 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
19693 |
61.0 |
1.1 |
0.423 |
0 |
0 |
0 |
0.000 |
| Average: |
63.7 |
1.1 |
0.404 |
0 |
0 |
0 |
0.000 |
| 28 |
40 |
|
[NAG]B:548 |
7 |
1 |
365 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
3 |
19693 |
65.6 |
1.7 |
0.398 |
0 |
0 |
0 |
0.000 |
| 29 |
41 |
|
[BMA]B:559 |
6 |
1 |
295 |
cf |
[NAG]B:558 |
x,y,z |
1_555 |
5 |
1 |
365 |
64.9 |
1.1 |
0.117 |
0 |
0 |
0 |
0.000 |
| 30 |
42 |
|
[BMA]A:558 |
6 |
1 |
293 |
cf |
[NAG]A:557 |
x,y,z |
1_555 |
5 |
1 |
366 |
64.8 |
1.1 |
0.119 |
0 |
0 |
0 |
0.000 |
| 31 |
43 |
|
[BMA]A:555 |
7 |
1 |
292 |
cf |
[NAG]A:554 |
x,y,z |
1_555 |
6 |
1 |
363 |
62.8 |
1.7 |
0.122 |
1 |
0 |
0 |
0.000 |
| 32 |
44 |
|
[SO4]A:560 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
19693 |
62.7 |
-9.0 |
0.673 |
2 |
0 |
0 |
0.000 |
| 33 |
45 |
|
[BMA]A:551 |
6 |
1 |
292 |
cf |
[NAG]A:550 |
x,y,z |
1_555 |
5 |
1 |
366 |
62.5 |
1.3 |
0.145 |
0 |
0 |
0 |
0.000 |
| 34 |
46 |
|
[NAG]B:553 |
8 |
1 |
355 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
9 |
1 |
19693 |
61.6 |
0.4 |
0.194 |
0 |
0 |
0 |
0.000 |
| 35 |
47 |
|
[FUC]B:556 |
6 |
1 |
281 |
f |
[NAG]B:554 |
x,y,z |
1_555 |
7 |
1 |
363 |
60.2 |
2.6 |
0.162 |
0 |
0 |
0 |
0.000 |
48 |
|
[FUC]B:552 |
6 |
1 |
281 |
f |
[NAG]B:551 |
x,y,z |
1_555 |
6 |
1 |
366 |
47.5 |
2.0 |
0.179 |
0 |
0 |
0 |
0.000 |
| Average: |
53.9 |
2.3 |
0.170 |
0 |
0 |
0 |
0.000 |
| 36 |
49 |
|
[SO4]B:561 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
19900 |
60.0 |
-8.7 |
0.674 |
3 |
0 |
0 |
0.000 |
| 37 |
50 |
|
[FUC]B:560 |
7 |
1 |
281 |
f |
[NAG]B:558 |
x,y,z |
1_555 |
8 |
1 |
365 |
59.4 |
2.6 |
0.141 |
0 |
0 |
0 |
0.000 |
51 |
|
[FUC]A:559 |
7 |
1 |
280 |
f |
[NAG]A:557 |
x,y,z |
1_555 |
8 |
1 |
366 |
58.0 |
2.5 |
0.141 |
0 |
0 |
0 |
0.000 |
| Average: |
58.7 |
2.5 |
0.141 |
0 |
0 |
0 |
0.000 |
| 38 |
52 |
|
[FUC]A:552 |
6 |
1 |
280 |
f |
[NAG]A:550 |
x,y,z |
1_555 |
8 |
1 |
366 |
58.9 |
2.7 |
0.156 |
0 |
0 |
0 |
0.000 |
| 39 |
53 |
|
[NAG]B:558 |
6 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
19900 |
58.9 |
1.8 |
0.446 |
1 |
0 |
0 |
0.000 |
| 40 |
54 |
|
[BMA]B:549 |
7 |
1 |
292 |
cf |
[NAG]B:548 |
x,y,z |
1_555 |
5 |
1 |
365 |
57.6 |
1.1 |
0.111 |
0 |
0 |
0 |
0.000 |
| 41 |
55 |
|
[FUC]B:552 |
5 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
19900 |
56.1 |
1.6 |
0.351 |
1 |
0 |
0 |
0.000 |
| 42 |
56 |
|
[FUC]A:548 |
5 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19693 |
51.3 |
1.7 |
0.404 |
1 |
0 |
0 |
0.000 |
| 43 |
57 |
|
B |
5 |
1 |
19900 |
◊ |
[NAG]A:549 |
-x+3/2,-y,z-1/2 |
2_654 |
7 |
1 |
361 |
39.8 |
0.3 |
0.172 |
0 |
0 |
0 |
0.000 |
| 44 |
58 |
|
[BMA]B:555 |
3 |
1 |
291 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
1 |
19693 |
10.9 |
0.5 |
0.499 |
0 |
0 |
0 |
0.000 |
| 45 |
59 |
|
[BMA]B:549 |
3 |
1 |
292 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
19693 |
9.6 |
0.3 |
0.428 |
0 |
0 |
0 |
0.000 |
| 46 |
60 |
|
B |
2 |
1 |
19900 |
◊ |
[FUC]B:556 |
x-1/2,-y-1/2,-z-1 |
4_444 |
1 |
1 |
281 |
5.3 |
0.1 |
0.385 |
0 |
0 |
0 |
0.000 |
| 47 |
61 |
|
[FUC]A:552 |
1 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
19693 |
4.8 |
0.2 |
0.400 |
0 |
0 |
0 |
0.000 |
62 |
|
[FUC]B:556 |
1 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
19900 |
4.4 |
0.2 |
0.398 |
0 |
0 |
0 |
0.000 |
| Average: |
4.6 |
0.2 |
0.399 |
0 |
0 |
0 |
0.000 |
| 48 |
63 |
|
[BMA]B:549 |
1 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
19900 |
2.4 |
0.0 |
0.264 |
0 |
0 |
0 |
0.000 |
| 49 |
64 |
|
B |
1 |
1 |
19900 |
◊ |
[BMA]A:551 |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
292 |
1.7 |
0.0 |
0.369 |
0 |
0 |
0 |
0.000 |
| 50 |
65 |
|
[BMA]B:555 |
1 |
1 |
291 |
f |
[FUC]B:556 |
x,y,z |
1_555 |
1 |
1 |
281 |
1.5 |
0.1 |
0.191 |
0 |
0 |
0 |
0.000 |
| 51 |
66 |
|
B |
1 |
1 |
19900 |
◊ |
[BMA]B:555 |
x-1/2,-y-1/2,-z-1 |
4_444 |
1 |
1 |
291 |
0.4 |
0.0 |
0.347 |
0 |
0 |
0 |
0.000 |
|