| ## |
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 |
|
G |
221 |
58 |
24406 |
◊ |
B |
x,y,z |
1_555 |
243 |
68 |
24519 |
2225.8 |
-32.8 |
0.065 |
15 |
6 |
2 |
1.000 |
| 2 |
2 |
|
B |
188 |
51 |
24519 |
◊ |
A |
x,y,z |
1_555 |
190 |
57 |
11287 |
1737.6 |
-27.9 |
0.032 |
16 |
4 |
1 |
0.403 |
| 3 |
3 |
|
G |
187 |
53 |
24406 |
◊ |
F |
x,y,z |
1_555 |
190 |
54 |
11421 |
1702.3 |
-27.8 |
0.055 |
15 |
3 |
1 |
1.000 |
| 4 |
4 |
|
B |
86 |
23 |
24519 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
76 |
23 |
24519 |
698.4 |
-6.4 |
0.438 |
9 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
44 |
12 |
24519 |
x |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
52 |
17 |
24519 |
469.9 |
-5.6 |
0.255 |
2 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
44 |
14 |
11287 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
52 |
20 |
24519 |
448.4 |
0.6 |
0.781 |
9 |
0 |
0 |
0.000 |
| 7 |
7 |
|
G |
37 |
12 |
24406 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
37 |
13 |
11421 |
369.2 |
-1.8 |
0.504 |
3 |
0 |
0 |
0.000 |
| 8 |
8 |
|
B |
36 |
14 |
24519 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
44 |
12 |
11287 |
350.1 |
-4.5 |
0.291 |
3 |
0 |
0 |
0.000 |
| 9 |
9 |
|
G |
36 |
10 |
24406 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
31 |
11 |
11287 |
329.4 |
-3.4 |
0.357 |
1 |
0 |
0 |
0.000 |
| 10 |
10 |
|
G |
33 |
12 |
24406 |
x |
G |
x-1/2,-y+1/2,-z |
4_455 |
37 |
11 |
24406 |
294.8 |
-3.3 |
0.420 |
2 |
0 |
0 |
0.000 |
| 11 |
11 |
|
A |
29 |
12 |
11287 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
25 |
8 |
11421 |
246.5 |
-0.1 |
0.711 |
2 |
1 |
0 |
0.000 |
| 12 |
12 |
|
F |
28 |
10 |
11421 |
◊ |
B |
x,y,z |
1_555 |
31 |
12 |
24519 |
245.4 |
-2.4 |
0.517 |
2 |
1 |
0 |
0.038 |
| 13 |
13 |
|
[SUC]G:508 |
17 |
1 |
457 |
f |
G |
x,y,z |
1_555 |
33 |
11 |
24406 |
233.2 |
-0.0 |
0.306 |
0 |
0 |
0 |
0.004 |
| 14 |
14 |
|
B |
35 |
10 |
24519 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
27 |
10 |
11287 |
223.0 |
1.5 |
0.852 |
4 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[SUC]B:512 |
15 |
1 |
453 |
f |
B |
x,y,z |
1_555 |
32 |
11 |
24519 |
201.9 |
0.5 |
0.453 |
4 |
0 |
0 |
0.028 |
| 16 |
16 |
|
[SUC]B:513 |
17 |
1 |
454 |
◊ |
G |
x,y,z |
1_555 |
17 |
8 |
24406 |
186.0 |
1.4 |
0.489 |
6 |
0 |
0 |
0.026 |
| 17 |
17 |
|
[NAG]B:505 |
13 |
1 |
366 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
24519 |
172.5 |
3.3 |
0.340 |
2 |
0 |
0 |
0.000 |
| 18 |
18 |
|
F |
20 |
6 |
11421 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
19 |
7 |
24519 |
165.4 |
-0.7 |
0.642 |
1 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[SUC]B:512 |
15 |
1 |
453 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
16 |
7 |
24519 |
164.4 |
2.4 |
0.557 |
3 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[NAG]G:501 |
13 |
1 |
361 |
cf |
G |
x,y,z |
1_555 |
20 |
7 |
24406 |
159.6 |
4.0 |
0.362 |
1 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[SUC]B:513 |
14 |
1 |
454 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
24519 |
155.6 |
3.1 |
0.722 |
9 |
0 |
0 |
0.019 |
| 22 |
22 |
|
G |
12 |
4 |
24406 |
x |
G |
x-1/2,-y-1/2,-z |
4_445 |
18 |
8 |
24406 |
135.6 |
-3.0 |
0.147 |
0 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[NAG]B:511 |
13 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
24519 |
132.9 |
1.0 |
0.180 |
0 |
0 |
0 |
0.000 |
| 24 |
24 |
|
F |
15 |
6 |
11421 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
14 |
4 |
24406 |
123.3 |
0.2 |
0.697 |
1 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[NAG]G:502 |
11 |
1 |
363 |
f |
G |
x,y,z |
1_555 |
20 |
8 |
24406 |
123.2 |
2.1 |
0.306 |
1 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[NAG]B:506 |
11 |
1 |
366 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
24519 |
119.1 |
1.6 |
0.233 |
1 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[SO4]A:301 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
11287 |
109.1 |
-15.4 |
0.887 |
4 |
0 |
0 |
0.175 |
| 28 |
28 |
|
G |
12 |
4 |
24406 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
9 |
5 |
11287 |
103.8 |
1.0 |
0.809 |
1 |
0 |
0 |
0.000 |
| 29 |
29 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
24519 |
92.1 |
-13.2 |
0.812 |
5 |
0 |
0 |
0.323 |
| 30 |
30 |
|
[NAG]G:506 |
8 |
1 |
363 |
f |
G |
x,y,z |
1_555 |
14 |
6 |
24406 |
88.5 |
1.5 |
0.321 |
0 |
0 |
0 |
0.000 |
| 31 |
31 |
|
[FUC]G:507 |
8 |
1 |
282 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
24519 |
86.8 |
1.3 |
0.255 |
2 |
0 |
0 |
0.000 |
| 32 |
32 |
|
[SO4]B:501 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
24519 |
81.1 |
-11.5 |
0.837 |
3 |
0 |
0 |
0.268 |
| 33 |
33 |
|
[NAG]B:510 |
8 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
24519 |
80.5 |
1.1 |
0.257 |
1 |
0 |
0 |
0.000 |
| 34 |
34 |
|
[MAN]G:505 |
8 |
1 |
292 |
cf |
[NAG]G:506 |
x,y,z |
1_555 |
8 |
1 |
363 |
74.1 |
2.6 |
0.121 |
0 |
0 |
0 |
0.000 |
| 35 |
35 |
|
[NAG]B:506 |
10 |
1 |
366 |
cf |
[NAG]B:505 |
x,y,z |
1_555 |
7 |
1 |
366 |
74.0 |
1.8 |
0.076 |
1 |
0 |
0 |
0.000 |
| 36 |
36 |
|
[NAG]G:502 |
9 |
1 |
363 |
cf |
[NAG]G:501 |
x,y,z |
1_555 |
6 |
1 |
361 |
73.3 |
1.7 |
0.105 |
1 |
0 |
0 |
0.000 |
| 37 |
37 |
|
[FUC]G:507 |
5 |
1 |
282 |
f |
G |
x,y,z |
1_555 |
12 |
4 |
24406 |
72.7 |
2.2 |
0.619 |
0 |
0 |
0 |
0.000 |
| 38 |
38 |
|
[MAN]B:509 |
8 |
1 |
292 |
cf |
[NAG]B:510 |
x,y,z |
1_555 |
7 |
1 |
364 |
72.4 |
2.6 |
0.125 |
0 |
0 |
0 |
0.000 |
| 39 |
39 |
|
[SO4]B:504 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
24519 |
71.9 |
-10.2 |
0.805 |
3 |
0 |
0 |
0.242 |
| 40 |
40 |
|
[SO4]B:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11287 |
71.8 |
-9.4 |
0.801 |
0 |
0 |
0 |
0.096 |
| 41 |
41 |
|
[MAN]B:508 |
8 |
1 |
292 |
cf |
[NAG]B:511 |
x,y,z |
1_555 |
6 |
1 |
361 |
71.5 |
2.5 |
0.145 |
0 |
0 |
0 |
0.000 |
| 42 |
42 |
|
[BMA]G:503 |
7 |
1 |
294 |
f |
G |
x,y,z |
1_555 |
8 |
2 |
24406 |
71.1 |
1.1 |
0.196 |
0 |
0 |
0 |
0.000 |
| 43 |
43 |
|
[BMA]B:507 |
8 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
24519 |
68.9 |
0.9 |
0.172 |
0 |
0 |
0 |
0.000 |
| 44 |
44 |
|
[FUC]G:507 |
7 |
1 |
282 |
cf |
[NAG]G:501 |
x,y,z |
1_555 |
6 |
1 |
361 |
62.4 |
2.3 |
0.133 |
0 |
0 |
0 |
0.000 |
| 45 |
45 |
|
[BMA]G:503 |
6 |
1 |
294 |
cf |
[NAG]G:502 |
x,y,z |
1_555 |
5 |
1 |
363 |
60.2 |
1.2 |
0.118 |
1 |
0 |
0 |
0.000 |
46 |
|
[BMA]B:507 |
6 |
1 |
293 |
cf |
[NAG]B:506 |
x,y,z |
1_555 |
5 |
1 |
366 |
59.7 |
1.0 |
0.112 |
1 |
0 |
0 |
0.000 |
| Average: |
59.9 |
1.1 |
0.115 |
1 |
0 |
0 |
0.000 |
| 46 |
47 |
|
[MAN]B:509 |
7 |
1 |
292 |
cf |
[BMA]B:507 |
x,y,z |
1_555 |
5 |
1 |
293 |
59.5 |
2.7 |
0.227 |
0 |
0 |
0 |
0.000 |
| 47 |
48 |
|
[MAN]G:504 |
6 |
1 |
293 |
cf |
[BMA]G:503 |
x,y,z |
1_555 |
6 |
1 |
294 |
58.8 |
2.6 |
0.203 |
0 |
0 |
0 |
0.000 |
| 48 |
49 |
|
[SUC]B:513 |
7 |
1 |
454 |
f |
[SO4]B:502 |
x,y,z |
1_555 |
4 |
1 |
185 |
52.3 |
-6.4 |
0.589 |
1 |
0 |
0 |
0.144 |
| 49 |
50 |
|
[MAN]G:505 |
6 |
1 |
292 |
cf |
[BMA]G:503 |
x,y,z |
1_555 |
3 |
1 |
294 |
52.3 |
2.3 |
0.270 |
0 |
0 |
0 |
0.000 |
51 |
|
[MAN]B:508 |
6 |
1 |
292 |
cf |
[BMA]B:507 |
x,y,z |
1_555 |
3 |
1 |
293 |
51.1 |
2.3 |
0.288 |
0 |
0 |
0 |
0.000 |
| Average: |
51.7 |
2.3 |
0.279 |
0 |
0 |
0 |
0.000 |
| 50 |
52 |
|
[MAN]G:505 |
6 |
1 |
292 |
f |
[NAG]G:502 |
x,y,z |
1_555 |
6 |
1 |
363 |
50.1 |
1.8 |
0.166 |
0 |
0 |
0 |
0.000 |
53 |
|
[MAN]B:508 |
6 |
1 |
292 |
f |
[NAG]B:506 |
x,y,z |
1_555 |
5 |
1 |
366 |
50.0 |
1.8 |
0.177 |
0 |
0 |
0 |
0.000 |
| Average: |
50.1 |
1.8 |
0.172 |
0 |
0 |
0 |
0.000 |
| 51 |
54 |
|
[SO4]B:503 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
24519 |
49.5 |
-6.1 |
0.808 |
1 |
0 |
0 |
0.067 |
| 52 |
55 |
|
[MAN]G:505 |
4 |
1 |
292 |
f |
G |
x,y,z |
1_555 |
7 |
2 |
24406 |
46.1 |
1.1 |
0.416 |
0 |
0 |
0 |
0.000 |
| 53 |
56 |
|
[MAN]B:508 |
4 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
24519 |
44.3 |
0.9 |
0.391 |
0 |
0 |
0 |
0.000 |
| 54 |
57 |
|
[FUC]G:507 |
4 |
1 |
282 |
f |
[NAG]G:502 |
x,y,z |
1_555 |
4 |
1 |
363 |
36.7 |
1.9 |
0.312 |
1 |
0 |
0 |
0.000 |
| 55 |
58 |
|
[MAN]B:509 |
5 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
24519 |
35.2 |
-0.0 |
0.162 |
0 |
0 |
0 |
0.000 |
| 56 |
59 |
|
[MAN]G:504 |
4 |
1 |
293 |
f |
G |
x,y,z |
1_555 |
3 |
1 |
24406 |
35.0 |
-0.2 |
0.144 |
0 |
0 |
0 |
0.014 |
| 57 |
60 |
|
[SUC]B:513 |
3 |
1 |
454 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
11287 |
32.3 |
0.3 |
0.260 |
0 |
0 |
0 |
0.000 |
| 58 |
61 |
|
[NAG]G:501 |
4 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
24519 |
25.0 |
0.8 |
0.415 |
0 |
0 |
0 |
0.000 |
| 59 |
62 |
|
G |
3 |
2 |
24406 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
11287 |
24.3 |
-0.1 |
0.496 |
0 |
0 |
0 |
0.000 |
| 60 |
63 |
|
[MAN]B:509 |
4 |
1 |
292 |
f |
[NAG]B:506 |
x,y,z |
1_555 |
3 |
1 |
366 |
23.9 |
0.6 |
0.171 |
0 |
0 |
0 |
0.000 |
| 61 |
64 |
|
[BMA]B:507 |
2 |
1 |
293 |
f |
[NAG]B:511 |
x,y,z |
1_555 |
4 |
1 |
361 |
22.7 |
1.1 |
0.261 |
0 |
0 |
0 |
0.000 |
| 62 |
65 |
|
[BMA]G:503 |
2 |
1 |
294 |
f |
[NAG]G:506 |
x,y,z |
1_555 |
4 |
1 |
363 |
21.4 |
1.1 |
0.249 |
0 |
0 |
0 |
0.000 |
| 63 |
66 |
|
[BMA]B:507 |
2 |
1 |
293 |
f |
[NAG]B:510 |
x,y,z |
1_555 |
3 |
1 |
364 |
16.5 |
0.8 |
0.250 |
0 |
0 |
0 |
0.000 |
| 64 |
67 |
|
[SUC]B:512 |
2 |
1 |
453 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
24406 |
12.7 |
-0.1 |
0.293 |
0 |
0 |
0 |
0.002 |
| 65 |
68 |
|
[FUC]G:507 |
1 |
1 |
282 |
f |
[MAN]G:505 |
x,y,z |
1_555 |
1 |
1 |
292 |
10.8 |
-0.1 |
0.191 |
0 |
0 |
0 |
0.013 |
| 66 |
69 |
|
[SO4]B:502 |
2 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
24406 |
10.1 |
-1.0 |
0.906 |
0 |
0 |
0 |
0.021 |
| 67 |
70 |
|
[MAN]G:504 |
3 |
1 |
293 |
f |
[NAG]G:502 |
x,y,z |
1_555 |
2 |
1 |
363 |
8.5 |
0.3 |
0.178 |
0 |
0 |
0 |
0.000 |
| 68 |
71 |
|
[MAN]G:504 |
1 |
1 |
293 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
24519 |
7.7 |
-0.0 |
0.226 |
0 |
0 |
0 |
0.000 |
| 69 |
72 |
|
[MAN]G:505 |
2 |
1 |
292 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
24519 |
6.3 |
0.2 |
0.420 |
0 |
0 |
0 |
0.000 |
|