## |
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 |
121 |
33 |
11881 |
◊ |
A |
x,y,z |
1_555 |
119 |
30 |
12020 |
1128.0 |
-13.7 |
0.142 |
9 |
14 |
0 |
0.000 |
2 |
2 |
|
A |
43 |
13 |
12020 |
◊ |
B |
-x+2,y-1/2,-z+3 |
2_748 |
41 |
13 |
11881 |
402.8 |
-1.3 |
0.525 |
5 |
1 |
0 |
0.000 |
3 |
3 |
|
A |
35 |
9 |
12020 |
◊ |
B |
x,y,z-1 |
1_554 |
38 |
10 |
11881 |
312.5 |
-0.6 |
0.545 |
4 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
32 |
12 |
11881 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
12 |
12020 |
267.3 |
0.1 |
0.694 |
3 |
1 |
0 |
0.000 |
5 |
5 |
|
B |
20 |
5 |
11881 |
x |
B |
x,y,z-1 |
1_554 |
30 |
8 |
11881 |
226.8 |
-0.7 |
0.615 |
3 |
1 |
0 |
0.000 |
6 |
6 |
|
B |
24 |
8 |
11881 |
◊ |
A |
x-1,y,z-1 |
1_454 |
24 |
6 |
12020 |
203.4 |
-0.2 |
0.517 |
3 |
2 |
0 |
0.000 |
7 |
7 |
|
B |
22 |
6 |
11881 |
x |
B |
-x+2,y-1/2,-z+3 |
2_748 |
23 |
7 |
11881 |
195.7 |
-0.1 |
0.658 |
3 |
1 |
0 |
0.000 |
8 |
8 |
|
[NAG]B:501 |
13 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
20 |
7 |
11881 |
155.9 |
3.3 |
0.344 |
1 |
0 |
0 |
0.000 |
9 |
|
[NAG]A:501 |
13 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
21 |
7 |
12020 |
152.9 |
3.3 |
0.322 |
1 |
0 |
0 |
0.000 |
Average: |
154.4 |
3.3 |
0.333 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
B |
13 |
3 |
11881 |
◊ |
A |
-x+2,y-1/2,-z+3 |
2_748 |
14 |
3 |
12020 |
142.4 |
1.0 |
0.784 |
2 |
3 |
0 |
0.000 |
10 |
11 |
|
[MES]A:511 |
12 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
12020 |
136.7 |
3.2 |
0.059 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[GAL]B:507 |
10 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
11881 |
135.9 |
2.7 |
0.294 |
4 |
0 |
0 |
0.000 |
13 |
|
[GAL]A:507 |
10 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
12020 |
135.5 |
2.6 |
0.286 |
4 |
0 |
0 |
0.000 |
Average: |
135.7 |
2.7 |
0.290 |
4 |
0 |
0 |
0.000 |
12 |
14 |
|
[GOL]A:510 |
6 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
12020 |
133.0 |
-0.1 |
0.595 |
4 |
0 |
0 |
0.000 |
13 |
15 |
|
[MES]B:512 |
10 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
11881 |
132.5 |
3.1 |
0.118 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[GOL]B:511 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
11881 |
132.0 |
-0.6 |
0.516 |
3 |
0 |
0 |
0.000 |
15 |
17 |
|
[GOL]B:510 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
11881 |
131.1 |
-0.1 |
0.596 |
5 |
0 |
0 |
0.000 |
16 |
18 |
|
[NAG]A:505 |
9 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
12020 |
113.9 |
2.4 |
0.365 |
2 |
0 |
0 |
0.000 |
19 |
|
[NAG]B:505 |
10 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
11881 |
113.8 |
2.4 |
0.328 |
2 |
0 |
0 |
0.000 |
Average: |
113.8 |
2.4 |
0.347 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
A |
13 |
4 |
12020 |
x |
A |
-x+3,y-1/2,-z+3 |
2_848 |
14 |
4 |
12020 |
106.4 |
0.1 |
0.654 |
0 |
2 |
0 |
0.000 |
18 |
21 |
|
[NAG]A:502 |
11 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
12020 |
105.9 |
1.6 |
0.216 |
0 |
0 |
0 |
0.000 |
22 |
|
[NAG]B:502 |
10 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
11881 |
102.6 |
1.5 |
0.241 |
1 |
0 |
0 |
0.000 |
Average: |
104.3 |
1.6 |
0.228 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
A |
10 |
2 |
12020 |
◊ |
B |
-x+3,y-1/2,-z+3 |
2_848 |
11 |
6 |
11881 |
82.1 |
0.9 |
0.787 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[NAG]B:502 |
9 |
1 |
364 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
7 |
1 |
365 |
75.4 |
1.8 |
0.097 |
1 |
0 |
0 |
0.000 |
25 |
|
[NAG]A:502 |
10 |
1 |
365 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
7 |
1 |
359 |
73.9 |
1.8 |
0.081 |
1 |
0 |
0 |
0.000 |
Average: |
74.6 |
1.8 |
0.089 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[FUC]A:508 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
12 |
2 |
12020 |
74.8 |
1.8 |
0.377 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[MAN]B:506 |
8 |
1 |
292 |
cf |
[NAG]B:509 |
x,y,z |
1_555 |
8 |
1 |
364 |
74.1 |
2.8 |
0.150 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[MAN]A:506 |
8 |
1 |
294 |
cf |
[NAG]A:509 |
x,y,z |
1_555 |
8 |
1 |
367 |
73.5 |
2.6 |
0.138 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[FUC]B:508 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
11881 |
73.0 |
1.7 |
0.383 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[MAN]B:504 |
8 |
1 |
292 |
cf |
[NAG]B:505 |
x,y,z |
1_555 |
7 |
1 |
360 |
72.4 |
2.6 |
0.147 |
0 |
0 |
0 |
0.000 |
31 |
|
[MAN]A:504 |
8 |
1 |
289 |
cf |
[NAG]A:505 |
x,y,z |
1_555 |
7 |
1 |
362 |
71.1 |
2.6 |
0.157 |
0 |
0 |
0 |
0.000 |
Average: |
71.8 |
2.6 |
0.152 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[MES]A:511 |
8 |
1 |
336 |
f |
[NAG]A:509 |
x,y,z |
1_555 |
9 |
1 |
367 |
64.9 |
2.3 |
0.012 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[GAL]A:507 |
7 |
1 |
294 |
cf |
[NAG]A:505 |
x,y,z |
1_555 |
5 |
1 |
362 |
61.1 |
1.1 |
0.106 |
0 |
0 |
0 |
0.000 |
34 |
|
[GAL]B:507 |
7 |
1 |
292 |
cf |
[NAG]B:505 |
x,y,z |
1_555 |
5 |
1 |
360 |
60.0 |
1.1 |
0.099 |
0 |
0 |
0 |
0.000 |
Average: |
60.6 |
1.1 |
0.102 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[MES]B:512 |
6 |
1 |
334 |
f |
[NAG]B:509 |
x,y,z |
1_555 |
7 |
1 |
364 |
60.0 |
2.4 |
0.045 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[BMA]A:503 |
7 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
12020 |
57.9 |
0.9 |
0.188 |
0 |
0 |
0 |
0.000 |
37 |
|
[BMA]B:503 |
7 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
11881 |
56.1 |
0.8 |
0.196 |
0 |
0 |
0 |
0.000 |
Average: |
57.0 |
0.9 |
0.192 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[NAG]A:509 |
6 |
1 |
367 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12020 |
57.3 |
2.7 |
0.547 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[BMA]A:503 |
6 |
1 |
293 |
cf |
[NAG]A:502 |
x,y,z |
1_555 |
5 |
1 |
365 |
57.0 |
0.9 |
0.115 |
1 |
0 |
0 |
0.000 |
40 |
|
[BMA]B:503 |
6 |
1 |
290 |
cf |
[NAG]B:502 |
x,y,z |
1_555 |
5 |
1 |
364 |
56.5 |
0.9 |
0.111 |
1 |
0 |
0 |
0.000 |
Average: |
56.7 |
0.9 |
0.113 |
1 |
0 |
0 |
0.000 |
32 |
41 |
|
[MAN]A:506 |
6 |
1 |
294 |
cf |
[BMA]A:503 |
x,y,z |
1_555 |
6 |
1 |
293 |
55.5 |
2.5 |
0.222 |
0 |
0 |
0 |
0.000 |
42 |
|
[MAN]B:506 |
6 |
1 |
292 |
cf |
[BMA]B:503 |
x,y,z |
1_555 |
6 |
1 |
290 |
54.7 |
2.6 |
0.242 |
0 |
0 |
0 |
0.000 |
Average: |
55.1 |
2.5 |
0.232 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[FUC]B:508 |
6 |
1 |
278 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
5 |
1 |
365 |
55.4 |
2.3 |
0.210 |
0 |
0 |
0 |
0.000 |
44 |
|
[FUC]A:508 |
6 |
1 |
279 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
5 |
1 |
359 |
54.7 |
2.3 |
0.210 |
0 |
0 |
0 |
0.000 |
Average: |
55.1 |
2.3 |
0.210 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
[NAG]B:509 |
5 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
11881 |
52.9 |
2.4 |
0.601 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
[MAN]A:504 |
6 |
1 |
289 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
5 |
1 |
365 |
52.8 |
1.9 |
0.190 |
0 |
0 |
0 |
0.000 |
47 |
|
[MAN]B:504 |
6 |
1 |
292 |
f |
[NAG]B:502 |
x,y,z |
1_555 |
5 |
1 |
364 |
52.1 |
1.9 |
0.180 |
0 |
0 |
0 |
0.000 |
Average: |
52.5 |
1.9 |
0.185 |
0 |
0 |
0 |
0.000 |
36 |
48 |
|
[MAN]B:504 |
6 |
1 |
292 |
cf |
[BMA]B:503 |
x,y,z |
1_555 |
3 |
1 |
290 |
48.3 |
2.1 |
0.263 |
0 |
0 |
0 |
0.000 |
49 |
|
[MAN]A:504 |
6 |
1 |
289 |
cf |
[BMA]A:503 |
x,y,z |
1_555 |
3 |
1 |
293 |
48.3 |
2.2 |
0.281 |
0 |
0 |
0 |
0.000 |
Average: |
48.3 |
2.2 |
0.272 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
[MES]B:512 |
4 |
1 |
334 |
f |
[BMA]B:503 |
x,y,z |
1_555 |
5 |
1 |
290 |
40.9 |
0.8 |
0.054 |
0 |
0 |
0 |
0.000 |
38 |
51 |
|
[FUC]B:508 |
4 |
1 |
278 |
f |
[NAG]B:502 |
x,y,z |
1_555 |
6 |
1 |
364 |
40.1 |
2.0 |
0.246 |
0 |
0 |
0 |
0.000 |
39 |
52 |
|
[FUC]A:508 |
3 |
1 |
279 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
5 |
1 |
365 |
38.4 |
1.8 |
0.270 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
A |
3 |
2 |
12020 |
◊ |
[GOL]B:511 |
-x+2,y-1/2,-z+3 |
2_748 |
4 |
1 |
223 |
38.3 |
0.4 |
0.703 |
1 |
0 |
0 |
0.000 |
41 |
54 |
|
[MES]A:511 |
3 |
1 |
336 |
f |
[BMA]A:503 |
x,y,z |
1_555 |
5 |
1 |
293 |
37.1 |
0.7 |
0.082 |
0 |
0 |
0 |
0.000 |
42 |
55 |
|
[MES]B:512 |
3 |
1 |
334 |
f |
[MAN]B:506 |
x,y,z |
1_555 |
4 |
1 |
292 |
32.6 |
1.4 |
0.138 |
0 |
0 |
0 |
0.000 |
43 |
56 |
|
[MAN]B:506 |
5 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
11881 |
31.0 |
-0.0 |
0.127 |
0 |
0 |
0 |
0.000 |
57 |
|
[MAN]A:506 |
5 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
12020 |
30.3 |
-0.1 |
0.120 |
0 |
0 |
0 |
0.000 |
Average: |
30.7 |
-0.1 |
0.123 |
0 |
0 |
0 |
0.000 |
44 |
58 |
|
[MES]A:511 |
4 |
1 |
336 |
f |
[MAN]A:506 |
x,y,z |
1_555 |
4 |
1 |
294 |
29.7 |
1.0 |
0.056 |
0 |
0 |
0 |
0.000 |
45 |
59 |
|
[MAN]B:504 |
4 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11881 |
29.6 |
0.8 |
0.310 |
0 |
0 |
0 |
0.000 |
60 |
|
[MAN]A:504 |
3 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
12020 |
27.8 |
0.7 |
0.301 |
0 |
0 |
0 |
0.000 |
Average: |
28.7 |
0.8 |
0.306 |
0 |
0 |
0 |
0.000 |
46 |
61 |
|
[MAN]B:506 |
3 |
1 |
292 |
f |
[NAG]B:502 |
x,y,z |
1_555 |
2 |
1 |
364 |
21.7 |
0.7 |
0.255 |
0 |
0 |
0 |
0.000 |
62 |
|
[MAN]A:506 |
3 |
1 |
294 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
2 |
1 |
365 |
19.8 |
0.6 |
0.236 |
0 |
0 |
0 |
0.000 |
Average: |
20.8 |
0.7 |
0.246 |
0 |
0 |
0 |
0.000 |
47 |
63 |
|
[BMA]B:503 |
3 |
1 |
290 |
f |
[NAG]B:509 |
x,y,z |
1_555 |
4 |
1 |
364 |
20.9 |
1.0 |
0.231 |
0 |
0 |
0 |
0.000 |
48 |
64 |
|
[BMA]A:503 |
3 |
1 |
293 |
f |
[NAG]A:509 |
x,y,z |
1_555 |
3 |
1 |
367 |
20.6 |
1.0 |
0.274 |
0 |
0 |
0 |
0.000 |
49 |
65 |
|
[NAG]A:509 |
3 |
1 |
367 |
◊ |
B |
-x+2,y-1/2,-z+3 |
2_748 |
3 |
1 |
11881 |
20.5 |
0.0 |
0.312 |
0 |
0 |
0 |
0.000 |
50 |
66 |
|
[BMA]B:503 |
2 |
1 |
290 |
f |
[NAG]B:505 |
x,y,z |
1_555 |
4 |
1 |
360 |
17.0 |
0.9 |
0.248 |
0 |
0 |
0 |
0.000 |
67 |
|
[BMA]A:503 |
2 |
1 |
293 |
f |
[NAG]A:505 |
x,y,z |
1_555 |
3 |
1 |
362 |
16.2 |
0.8 |
0.250 |
0 |
0 |
0 |
0.000 |
Average: |
16.6 |
0.8 |
0.249 |
0 |
0 |
0 |
0.000 |
51 |
68 |
|
[FUC]A:508 |
1 |
1 |
279 |
f |
[MAN]A:504 |
x,y,z |
1_555 |
1 |
1 |
289 |
4.9 |
0.0 |
0.191 |
0 |
0 |
0 |
0.000 |
52 |
69 |
|
[FUC]B:508 |
1 |
1 |
278 |
f |
[MAN]B:504 |
x,y,z |
1_555 |
1 |
1 |
292 |
2.7 |
0.0 |
0.191 |
0 |
0 |
0 |
0.000 |
|