| ## |
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 |
53 |
14995 |
◊ |
A |
x,y,z |
1_555 |
158 |
44 |
14996 |
1553.9 |
-11.0 |
0.132 |
8 |
3 |
0 |
0.000 |
2 |
|
B |
157 |
44 |
14995 |
◊ |
A |
x,-y,-z |
4_555 |
178 |
53 |
14996 |
1551.4 |
-11.8 |
0.108 |
7 |
3 |
0 |
0.000 |
| Average: |
1552.7 |
-11.4 |
0.120 |
8 |
3 |
0 |
0.000 |
| 2 |
3 |
|
B |
40 |
15 |
14995 |
◊ |
A |
-x+1/2,y-1/2,-z-1/2 |
7_544 |
40 |
15 |
14996 |
343.9 |
-1.8 |
0.396 |
0 |
0 |
0 |
0.000 |
| 3 |
4 |
|
[ST6]B:489 |
17 |
1 |
432 |
f |
B |
x,y,z |
1_555 |
44 |
16 |
14995 |
292.9 |
4.5 |
0.670 |
3 |
0 |
0 |
0.000 |
5 |
|
[ST6]A:471 |
17 |
1 |
429 |
f |
A |
x,y,z |
1_555 |
44 |
16 |
14996 |
292.1 |
4.5 |
0.660 |
3 |
0 |
0 |
0.000 |
| Average: |
292.5 |
4.5 |
0.665 |
3 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
21 |
8 |
14995 |
◊ |
B |
-x+1,y,-z-1/2 |
3_654 |
23 |
10 |
14995 |
204.0 |
2.0 |
0.818 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[NAG]A:474 |
12 |
1 |
372 |
cf |
A |
x,y,z |
1_555 |
19 |
5 |
14996 |
152.5 |
3.8 |
0.320 |
2 |
0 |
0 |
0.000 |
8 |
|
[NAG]B:474 |
12 |
1 |
371 |
cf |
B |
x,y,z |
1_555 |
20 |
5 |
14995 |
152.3 |
3.7 |
0.336 |
2 |
0 |
0 |
0.000 |
| Average: |
152.4 |
3.8 |
0.328 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[NAG]A:484 |
10 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
18 |
7 |
14996 |
143.6 |
4.6 |
0.515 |
0 |
0 |
0 |
0.000 |
10 |
|
[NAG]B:486 |
10 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
19 |
7 |
14995 |
143.6 |
4.7 |
0.564 |
0 |
0 |
0 |
0.000 |
| Average: |
143.6 |
4.6 |
0.539 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[NAG]A:472 |
10 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
15 |
6 |
14996 |
137.0 |
4.5 |
0.536 |
1 |
0 |
0 |
0.000 |
12 |
|
[NAG]B:472 |
10 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
15 |
6 |
14995 |
136.8 |
4.5 |
0.538 |
1 |
0 |
0 |
0.000 |
| Average: |
136.9 |
4.5 |
0.537 |
1 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[NAG]B:478 |
10 |
1 |
366 |
c |
A |
x,-y,-z |
4_555 |
15 |
5 |
14996 |
115.3 |
3.7 |
0.479 |
1 |
0 |
0 |
0.000 |
14 |
|
[NAG]A:478 |
10 |
1 |
367 |
c |
B |
x,y,z |
1_555 |
16 |
5 |
14995 |
115.2 |
3.7 |
0.479 |
0 |
0 |
0 |
0.000 |
| Average: |
115.2 |
3.7 |
0.479 |
1 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[MAN]B:481 |
11 |
1 |
289 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
14995 |
108.7 |
2.4 |
0.438 |
0 |
0 |
0 |
0.000 |
16 |
|
[MAN]B:484 |
11 |
1 |
289 |
◊ |
A |
x,-y,-z |
4_555 |
17 |
6 |
14996 |
108.5 |
2.3 |
0.424 |
0 |
0 |
0 |
0.000 |
| Average: |
108.6 |
2.3 |
0.431 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[BMA]B:480 |
8 |
1 |
296 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
14995 |
105.5 |
1.7 |
0.360 |
0 |
0 |
0 |
0.000 |
18 |
|
[BMA]B:471 |
8 |
1 |
296 |
◊ |
A |
x,-y,-z |
4_555 |
15 |
4 |
14996 |
105.4 |
1.6 |
0.357 |
0 |
0 |
0 |
0.000 |
| Average: |
105.5 |
1.6 |
0.358 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[BMA]B:482 |
11 |
1 |
287 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
14995 |
102.2 |
3.0 |
0.549 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[MAN]B:485 |
11 |
1 |
285 |
◊ |
A |
x,-y,-z |
4_555 |
14 |
6 |
14996 |
101.0 |
3.0 |
0.589 |
0 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[NAG]B:479 |
10 |
1 |
370 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
14995 |
93.6 |
2.4 |
0.338 |
1 |
0 |
0 |
0.000 |
22 |
|
[NAG]B:470 |
10 |
1 |
371 |
◊ |
A |
x,-y,-z |
4_555 |
12 |
5 |
14996 |
93.2 |
2.4 |
0.354 |
0 |
0 |
0 |
0.000 |
| Average: |
93.4 |
2.4 |
0.346 |
1 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[MAN]A:483 |
9 |
1 |
299 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
14995 |
90.2 |
-0.2 |
0.127 |
0 |
0 |
0 |
0.000 |
24 |
|
[MAN]B:483 |
9 |
1 |
297 |
◊ |
A |
x,-y,-z |
4_555 |
13 |
6 |
14996 |
89.3 |
-0.2 |
0.128 |
0 |
0 |
0 |
0.000 |
| Average: |
89.8 |
-0.2 |
0.127 |
0 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[FUL]A:477 |
7 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14996 |
79.9 |
1.1 |
0.304 |
0 |
0 |
0 |
0.000 |
| 16 |
26 |
|
[FUC]B:477 |
7 |
1 |
288 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14995 |
79.3 |
1.1 |
0.267 |
0 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[BMA]B:476 |
7 |
1 |
299 |
cf |
[NAG]B:475 |
x,y,z |
1_555 |
8 |
1 |
374 |
79.0 |
2.0 |
0.086 |
0 |
0 |
0 |
0.000 |
28 |
|
[BMA]A:476 |
7 |
1 |
300 |
cf |
[NAG]A:475 |
x,y,z |
1_555 |
8 |
1 |
372 |
78.6 |
2.0 |
0.091 |
0 |
0 |
0 |
0.000 |
| Average: |
78.8 |
2.0 |
0.088 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[NAG]A:485 |
10 |
1 |
362 |
cf |
[NAG]A:484 |
x,y,z |
1_555 |
6 |
1 |
365 |
77.8 |
2.2 |
0.094 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]B:487 |
10 |
1 |
363 |
cf |
[NAG]B:486 |
x,y,z |
1_555 |
6 |
1 |
365 |
76.4 |
2.2 |
0.102 |
0 |
0 |
0 |
0.000 |
| Average: |
77.1 |
2.2 |
0.098 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[NAG]B:478 |
10 |
1 |
366 |
cf |
[NAG]B:470 |
x,y,z |
1_555 |
8 |
1 |
371 |
76.9 |
2.2 |
0.089 |
0 |
0 |
0 |
0.000 |
32 |
|
[NAG]B:479 |
8 |
1 |
370 |
cf |
[NAG]A:478 |
x,y,z |
1_555 |
10 |
1 |
367 |
76.8 |
2.2 |
0.089 |
0 |
0 |
0 |
0.000 |
| Average: |
76.9 |
2.2 |
0.089 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
[NAG]A:475 |
8 |
1 |
372 |
cf |
[NAG]A:474 |
x,y,z |
1_555 |
6 |
1 |
372 |
71.9 |
1.7 |
0.077 |
0 |
0 |
0 |
0.000 |
34 |
|
[NAG]B:475 |
8 |
1 |
374 |
cf |
[NAG]B:474 |
x,y,z |
1_555 |
5 |
1 |
371 |
71.4 |
1.6 |
0.092 |
0 |
0 |
0 |
0.000 |
| Average: |
71.7 |
1.6 |
0.084 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[NAG]B:473 |
10 |
1 |
346 |
cf |
[NAG]B:472 |
x,y,z |
1_555 |
7 |
1 |
361 |
71.5 |
0.9 |
0.035 |
0 |
0 |
0 |
0.000 |
36 |
|
[NAG]A:473 |
10 |
1 |
342 |
cf |
[NAG]A:472 |
x,y,z |
1_555 |
7 |
1 |
359 |
70.8 |
0.8 |
0.035 |
0 |
0 |
0 |
0.000 |
| Average: |
71.1 |
0.8 |
0.035 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[MAN]B:483 |
6 |
1 |
297 |
cf |
[NAG]B:478 |
x,y,z |
1_555 |
7 |
1 |
366 |
71.2 |
2.8 |
0.219 |
0 |
0 |
0 |
0.000 |
38 |
|
[MAN]A:483 |
6 |
1 |
299 |
cf |
[NAG]A:478 |
x,y,z |
1_555 |
7 |
1 |
367 |
70.6 |
2.7 |
0.219 |
0 |
0 |
0 |
0.000 |
| Average: |
70.9 |
2.8 |
0.219 |
0 |
0 |
0 |
0.000 |
| 23 |
39 |
|
[BMA]B:480 |
4 |
1 |
296 |
cf |
[NAG]B:479 |
x,y,z |
1_555 |
7 |
1 |
370 |
68.4 |
1.2 |
0.143 |
0 |
0 |
0 |
0.000 |
40 |
|
[BMA]B:471 |
4 |
1 |
296 |
cf |
[NAG]B:470 |
x,y,z |
1_555 |
7 |
1 |
371 |
68.3 |
1.3 |
0.143 |
0 |
0 |
0 |
0.000 |
| Average: |
68.3 |
1.2 |
0.143 |
0 |
0 |
0 |
0.000 |
| 24 |
41 |
|
[FUC]B:477 |
6 |
1 |
288 |
cf |
[NAG]B:474 |
x,y,z |
1_555 |
7 |
1 |
371 |
65.2 |
1.4 |
0.097 |
0 |
0 |
0 |
0.000 |
| 25 |
42 |
|
[FUL]A:477 |
6 |
1 |
289 |
cf |
[NAG]A:474 |
x,y,z |
1_555 |
7 |
1 |
372 |
65.1 |
1.3 |
0.105 |
0 |
0 |
0 |
0.000 |
| 26 |
43 |
|
[MAN]B:481 |
7 |
1 |
289 |
cf |
[BMA]B:480 |
x,y,z |
1_555 |
7 |
1 |
296 |
61.5 |
1.9 |
0.195 |
0 |
0 |
0 |
0.000 |
44 |
|
[MAN]B:484 |
7 |
1 |
289 |
cf |
[BMA]B:471 |
x,y,z |
1_555 |
7 |
1 |
296 |
61.0 |
1.9 |
0.192 |
0 |
0 |
0 |
0.000 |
| Average: |
61.2 |
1.9 |
0.194 |
0 |
0 |
0 |
0.000 |
| 27 |
45 |
|
[NAG]B:478 |
6 |
1 |
366 |
cf |
B |
x,y,z |
1_555 |
3 |
1 |
14995 |
52.9 |
1.3 |
0.423 |
0 |
0 |
0 |
0.000 |
46 |
|
[NAG]A:478 |
6 |
1 |
367 |
cf |
A |
x,y,z |
1_555 |
3 |
1 |
14996 |
52.1 |
1.3 |
0.395 |
0 |
0 |
0 |
0.000 |
| Average: |
52.5 |
1.3 |
0.409 |
0 |
0 |
0 |
0.000 |
| 28 |
47 |
|
[MAN]A:483 |
5 |
1 |
299 |
f |
[NAG]B:479 |
x,y,z |
1_555 |
4 |
1 |
370 |
47.1 |
1.5 |
0.232 |
0 |
0 |
0 |
0.000 |
48 |
|
[MAN]B:483 |
5 |
1 |
297 |
f |
[NAG]B:470 |
x,y,z |
1_555 |
4 |
1 |
371 |
47.1 |
1.5 |
0.232 |
0 |
0 |
0 |
0.000 |
| Average: |
47.1 |
1.5 |
0.232 |
0 |
0 |
0 |
0.000 |
| 29 |
49 |
|
[NAG]B:473 |
4 |
1 |
346 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14995 |
46.1 |
1.0 |
0.409 |
0 |
0 |
0 |
0.000 |
50 |
|
[NAG]A:473 |
4 |
1 |
342 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14996 |
45.9 |
1.0 |
0.410 |
0 |
0 |
0 |
0.000 |
| Average: |
46.0 |
1.0 |
0.409 |
0 |
0 |
0 |
0.000 |
| 30 |
51 |
|
[CA]B:488 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
14995 |
44.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
|
[CA]A:470 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
14996 |
44.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
44.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
53 |
|
[MAN]B:485 |
7 |
1 |
285 |
f |
[NAG]B:470 |
x,y,z |
1_555 |
7 |
1 |
371 |
44.6 |
1.6 |
0.140 |
0 |
0 |
0 |
0.000 |
| 32 |
54 |
|
[BMA]B:482 |
7 |
1 |
287 |
f |
[NAG]B:479 |
x,y,z |
1_555 |
7 |
1 |
370 |
44.5 |
1.6 |
0.144 |
0 |
0 |
0 |
0.000 |
| 33 |
55 |
|
[NAG]B:486 |
8 |
1 |
365 |
f |
[NAG]B:472 |
x,y,z |
1_555 |
3 |
1 |
361 |
42.8 |
2.2 |
0.252 |
0 |
0 |
0 |
0.000 |
56 |
|
[NAG]A:484 |
7 |
1 |
365 |
f |
[NAG]A:472 |
x,y,z |
1_555 |
3 |
1 |
359 |
42.0 |
2.2 |
0.271 |
0 |
0 |
0 |
0.000 |
| Average: |
42.4 |
2.2 |
0.262 |
0 |
0 |
0 |
0.000 |
| 34 |
57 |
|
[MAN]B:485 |
6 |
1 |
285 |
cf |
[MAN]B:484 |
x,y,z |
1_555 |
6 |
1 |
289 |
40.6 |
1.6 |
0.234 |
0 |
0 |
0 |
0.000 |
| 35 |
58 |
|
[MAN]B:481 |
5 |
1 |
289 |
cf |
[BMA]B:482 |
x,y,z |
1_555 |
6 |
1 |
287 |
40.5 |
1.6 |
0.268 |
0 |
0 |
0 |
0.000 |
| 36 |
59 |
|
[FUL]A:477 |
5 |
1 |
289 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
14995 |
39.7 |
0.0 |
0.146 |
0 |
0 |
0 |
0.000 |
| 37 |
60 |
|
[FUC]B:477 |
5 |
1 |
288 |
◊ |
A |
x,-y,-z |
4_555 |
4 |
2 |
14996 |
39.3 |
0.0 |
0.148 |
0 |
0 |
0 |
0.000 |
| 38 |
61 |
|
[NAG]A:475 |
5 |
1 |
372 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
14996 |
33.2 |
0.1 |
0.146 |
0 |
0 |
0 |
0.000 |
62 |
|
[NAG]B:475 |
5 |
1 |
374 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
14995 |
32.1 |
0.1 |
0.125 |
0 |
0 |
0 |
0.000 |
| Average: |
32.7 |
0.1 |
0.136 |
0 |
0 |
0 |
0.000 |
| 39 |
63 |
|
[NAG]B:487 |
3 |
1 |
363 |
f |
[NAG]B:472 |
x,y,z |
1_555 |
4 |
1 |
361 |
32.4 |
1.6 |
0.327 |
0 |
0 |
0 |
0.000 |
64 |
|
[NAG]A:485 |
4 |
1 |
362 |
f |
[NAG]A:472 |
x,y,z |
1_555 |
4 |
1 |
359 |
32.1 |
1.5 |
0.260 |
0 |
0 |
0 |
0.000 |
| Average: |
32.3 |
1.6 |
0.293 |
0 |
0 |
0 |
0.000 |
| 40 |
65 |
|
[MAN]B:481 |
3 |
1 |
289 |
f |
[NAG]B:479 |
x,y,z |
1_555 |
5 |
1 |
370 |
30.6 |
1.1 |
0.241 |
0 |
0 |
0 |
0.000 |
66 |
|
[MAN]B:484 |
3 |
1 |
289 |
f |
[NAG]B:470 |
x,y,z |
1_555 |
5 |
1 |
371 |
30.1 |
1.1 |
0.237 |
0 |
0 |
0 |
0.000 |
| Average: |
30.4 |
1.1 |
0.239 |
0 |
0 |
0 |
0.000 |
| 41 |
67 |
|
[BMA]B:482 |
3 |
1 |
287 |
f |
[NAG]A:478 |
x,y,z |
1_555 |
4 |
1 |
367 |
22.1 |
0.5 |
0.147 |
0 |
0 |
0 |
0.000 |
| 42 |
68 |
|
[MAN]B:485 |
3 |
1 |
285 |
f |
[NAG]B:478 |
x,y,z |
1_555 |
4 |
1 |
366 |
22.0 |
0.5 |
0.149 |
0 |
0 |
0 |
0.000 |
| 43 |
69 |
|
[BMA]B:482 |
4 |
1 |
287 |
f |
[BMA]B:480 |
x,y,z |
1_555 |
4 |
1 |
296 |
21.0 |
0.8 |
0.255 |
0 |
0 |
0 |
0.000 |
| 44 |
70 |
|
[MAN]B:485 |
4 |
1 |
285 |
f |
[BMA]B:471 |
x,y,z |
1_555 |
4 |
1 |
296 |
21.0 |
0.8 |
0.265 |
0 |
0 |
0 |
0.000 |
| 45 |
71 |
|
[MAN]B:483 |
2 |
1 |
297 |
f |
[BMA]B:471 |
x,y,z |
1_555 |
2 |
1 |
296 |
13.6 |
0.4 |
0.264 |
0 |
0 |
0 |
0.000 |
72 |
|
[MAN]A:483 |
2 |
1 |
299 |
f |
[BMA]B:480 |
x,y,z |
1_555 |
2 |
1 |
296 |
13.2 |
0.4 |
0.264 |
0 |
0 |
0 |
0.000 |
| Average: |
13.4 |
0.4 |
0.264 |
0 |
0 |
0 |
0.000 |
| 46 |
73 |
|
[FUC]B:477 |
2 |
1 |
288 |
f |
[NAG]B:475 |
x,y,z |
1_555 |
3 |
1 |
374 |
6.8 |
0.1 |
0.252 |
0 |
0 |
0 |
0.000 |
| 47 |
74 |
|
[FUL]A:477 |
2 |
1 |
289 |
f |
[NAG]A:475 |
x,y,z |
1_555 |
3 |
1 |
372 |
6.7 |
0.1 |
0.252 |
0 |
0 |
0 |
0.000 |
| 48 |
75 |
|
[MAN]A:483 |
2 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
14996 |
2.3 |
0.0 |
0.398 |
0 |
0 |
0 |
0.000 |
76 |
|
[MAN]B:483 |
2 |
1 |
297 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
14995 |
2.2 |
0.0 |
0.398 |
0 |
0 |
0 |
0.000 |
| Average: |
2.3 |
0.0 |
0.398 |
0 |
0 |
0 |
0.000 |
| 49 |
77 |
|
[BMA]B:471 |
1 |
1 |
296 |
f |
[NAG]B:478 |
x,y,z |
1_555 |
1 |
1 |
366 |
0.4 |
-0.0 |
0.197 |
0 |
0 |
0 |
0.000 |
78 |
|
[BMA]B:480 |
1 |
1 |
296 |
f |
[NAG]A:478 |
x,y,z |
1_555 |
1 |
1 |
367 |
0.4 |
-0.0 |
0.197 |
0 |
0 |
0 |
0.000 |
| Average: |
0.4 |
-0.0 |
0.197 |
0 |
0 |
0 |
0.000 |
|