| ## |
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 |
108 |
30 |
12316 |
◊ |
A |
x,y,z |
1_555 |
110 |
31 |
12069 |
1087.4 |
-13.5 |
0.065 |
8 |
7 |
0 |
0.000 |
| 2 |
2 |
|
Z |
78 |
17 |
3177 |
◊ |
B |
x,y,z |
1_555 |
84 |
25 |
12316 |
729.6 |
-7.0 |
0.216 |
8 |
1 |
0 |
0.000 |
3 |
|
E |
77 |
18 |
3062 |
◊ |
A |
x,y,z |
1_555 |
80 |
25 |
12069 |
695.6 |
-6.4 |
0.235 |
8 |
1 |
0 |
0.000 |
| Average: |
712.6 |
-6.7 |
0.226 |
8 |
1 |
0 |
0.000 |
| 3 |
4 |
|
A |
48 |
15 |
12069 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
44 |
13 |
12316 |
424.0 |
-0.1 |
0.378 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
E |
42 |
16 |
3062 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
56 |
19 |
12316 |
405.0 |
5.1 |
0.900 |
5 |
2 |
0 |
0.000 |
| 5 |
6 |
|
A |
35 |
7 |
12069 |
◊ |
Z |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
11 |
3177 |
272.4 |
0.7 |
0.622 |
3 |
2 |
0 |
0.000 |
| 6 |
7 |
|
A |
20 |
9 |
12069 |
x |
A |
x,y,z-1 |
1_554 |
30 |
8 |
12069 |
219.6 |
2.4 |
0.708 |
4 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
19 |
7 |
12316 |
x |
B |
x-1,y,z-1 |
1_454 |
22 |
7 |
12316 |
180.1 |
-1.6 |
0.398 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
A |
16 |
7 |
12069 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
20 |
7 |
12316 |
172.2 |
1.3 |
0.739 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
A |
18 |
5 |
12069 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
23 |
6 |
12316 |
162.3 |
-0.5 |
0.545 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
A |
18 |
5 |
12069 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
12316 |
149.7 |
0.6 |
0.646 |
1 |
1 |
0 |
0.000 |
| 11 |
12 |
|
Z |
17 |
7 |
3177 |
◊ |
A |
x-1,y,z |
1_455 |
16 |
5 |
12069 |
147.9 |
1.2 |
0.717 |
1 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[NAG]B:501 |
13 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
18 |
7 |
12316 |
146.1 |
3.5 |
0.313 |
1 |
0 |
0 |
0.000 |
14 |
|
[NAG]A:501 |
12 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
17 |
7 |
12069 |
142.0 |
3.4 |
0.361 |
1 |
0 |
0 |
0.000 |
| Average: |
144.1 |
3.4 |
0.337 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[GAL]A:507 |
11 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
12069 |
145.5 |
3.4 |
0.320 |
3 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[GAL]B:507 |
10 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
12316 |
134.3 |
3.3 |
0.444 |
2 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[NAG]A:505 |
9 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
12069 |
123.3 |
2.4 |
0.352 |
2 |
0 |
0 |
0.000 |
18 |
|
[NAG]B:505 |
9 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
12316 |
115.8 |
2.3 |
0.360 |
2 |
0 |
0 |
0.000 |
| Average: |
119.5 |
2.3 |
0.356 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
B |
12 |
4 |
12316 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
5 |
12316 |
115.0 |
-1.1 |
0.419 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[NAG]A:502 |
11 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
12069 |
109.3 |
1.4 |
0.210 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[NAG]B:502 |
11 |
1 |
358 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
12316 |
97.3 |
1.0 |
0.188 |
1 |
0 |
0 |
0.000 |
| 19 |
22 |
|
E |
14 |
4 |
3062 |
◊ |
[NAG]B:505 |
-x+2,y-1/2,-z+1 |
2_746 |
11 |
1 |
362 |
87.6 |
1.9 |
0.252 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
Z |
8 |
2 |
3177 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
2 |
12316 |
82.2 |
1.3 |
0.769 |
1 |
0 |
0 |
0.000 |
| 21 |
24 |
|
B |
11 |
3 |
12316 |
◊ |
E |
x-1,y,z |
1_455 |
8 |
4 |
3062 |
81.2 |
-1.4 |
0.309 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[NAG]A:502 |
9 |
1 |
363 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
6 |
1 |
362 |
73.5 |
1.9 |
0.119 |
2 |
0 |
0 |
0.000 |
26 |
|
[NAG]B:502 |
9 |
1 |
358 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
6 |
1 |
363 |
65.3 |
1.8 |
0.105 |
0 |
0 |
0 |
0.000 |
| Average: |
69.4 |
1.8 |
0.112 |
1 |
0 |
0 |
0.000 |
| 23 |
27 |
|
E |
8 |
5 |
3062 |
◊ |
[GAL]B:507 |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
1 |
292 |
72.9 |
2.1 |
0.432 |
1 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[MAN]A:504 |
8 |
1 |
292 |
cf |
[NAG]A:505 |
x,y,z |
1_555 |
8 |
1 |
363 |
72.2 |
2.6 |
0.116 |
0 |
0 |
0 |
0.000 |
29 |
|
[MAN]B:504 |
8 |
1 |
291 |
cf |
[NAG]B:505 |
x,y,z |
1_555 |
8 |
1 |
362 |
70.6 |
2.5 |
0.145 |
0 |
0 |
0 |
0.000 |
| Average: |
71.4 |
2.5 |
0.131 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[MAN]A:503 |
8 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
12069 |
67.0 |
0.2 |
0.130 |
0 |
0 |
0 |
0.000 |
31 |
|
[MAN]B:503 |
9 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
12316 |
65.6 |
0.2 |
0.110 |
0 |
0 |
0 |
0.000 |
| Average: |
66.3 |
0.2 |
0.120 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[FUC]A:508 |
7 |
1 |
278 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
7 |
1 |
362 |
66.6 |
2.3 |
0.136 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[FUC]A:508 |
5 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
12069 |
62.2 |
0.4 |
0.278 |
0 |
0 |
0 |
0.000 |
| 28 |
34 |
|
[FUC]A:508 |
6 |
1 |
278 |
◊ |
Z |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
2 |
3177 |
60.2 |
0.9 |
0.256 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[MAN]A:506 |
7 |
1 |
292 |
cf |
[MAN]A:503 |
x,y,z |
1_555 |
5 |
1 |
290 |
60.1 |
2.7 |
0.262 |
0 |
0 |
0 |
0.000 |
36 |
|
[MAN]B:506 |
7 |
1 |
292 |
cf |
[MAN]B:503 |
x,y,z |
1_555 |
5 |
1 |
290 |
57.7 |
2.5 |
0.242 |
1 |
0 |
0 |
0.000 |
| Average: |
58.9 |
2.6 |
0.252 |
1 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[FUC]B:508 |
6 |
1 |
282 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
7 |
1 |
363 |
59.3 |
2.1 |
0.157 |
0 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[GAL]A:507 |
7 |
1 |
292 |
cf |
[NAG]A:505 |
x,y,z |
1_555 |
5 |
1 |
363 |
59.2 |
0.9 |
0.105 |
0 |
0 |
0 |
0.000 |
| 32 |
39 |
|
[GAL]B:507 |
7 |
1 |
292 |
cf |
[NAG]B:505 |
x,y,z |
1_555 |
6 |
1 |
362 |
57.9 |
1.0 |
0.109 |
1 |
0 |
0 |
0.000 |
| 33 |
40 |
|
[MAN]A:503 |
7 |
1 |
290 |
cf |
[NAG]A:502 |
x,y,z |
1_555 |
5 |
1 |
363 |
56.1 |
0.8 |
0.099 |
1 |
0 |
0 |
0.000 |
| 34 |
41 |
|
B |
10 |
5 |
12316 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
12069 |
54.4 |
0.7 |
0.729 |
0 |
0 |
0 |
0.000 |
| 35 |
42 |
|
[MAN]B:503 |
7 |
1 |
290 |
cf |
[NAG]B:502 |
x,y,z |
1_555 |
5 |
1 |
358 |
53.9 |
1.0 |
0.107 |
1 |
0 |
0 |
0.000 |
| 36 |
43 |
|
[MAN]A:504 |
6 |
1 |
292 |
cf |
[MAN]A:503 |
x,y,z |
1_555 |
4 |
1 |
290 |
52.6 |
2.5 |
0.278 |
0 |
0 |
0 |
0.000 |
44 |
|
[MAN]B:504 |
6 |
1 |
291 |
cf |
[MAN]B:503 |
x,y,z |
1_555 |
4 |
1 |
290 |
49.6 |
2.3 |
0.273 |
0 |
0 |
0 |
0.000 |
| Average: |
51.1 |
2.4 |
0.275 |
0 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[MAN]B:504 |
5 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
12316 |
52.0 |
1.3 |
0.410 |
1 |
0 |
0 |
0.000 |
46 |
|
[MAN]A:504 |
4 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
12069 |
47.6 |
1.2 |
0.371 |
0 |
0 |
0 |
0.000 |
| Average: |
49.8 |
1.2 |
0.390 |
1 |
0 |
0 |
0.000 |
| 38 |
47 |
|
[FUC]B:508 |
5 |
1 |
282 |
f |
[NAG]B:502 |
x,y,z |
1_555 |
6 |
1 |
358 |
49.4 |
2.1 |
0.214 |
1 |
0 |
0 |
0.000 |
| 39 |
48 |
|
[FUC]B:508 |
5 |
1 |
282 |
◊ |
[MAN]A:506 |
x,y,z |
1_555 |
5 |
1 |
292 |
49.2 |
0.9 |
0.130 |
0 |
0 |
0 |
0.000 |
| 40 |
49 |
|
[MAN]A:504 |
6 |
1 |
292 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
6 |
1 |
363 |
49.0 |
1.8 |
0.156 |
0 |
0 |
0 |
0.000 |
| 41 |
50 |
|
[MAN]B:504 |
6 |
1 |
291 |
f |
[NAG]B:502 |
x,y,z |
1_555 |
6 |
1 |
358 |
47.0 |
1.5 |
0.161 |
0 |
0 |
0 |
0.000 |
| 42 |
51 |
|
E |
9 |
5 |
3062 |
◊ |
[MAN]B:504 |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
1 |
291 |
42.4 |
0.1 |
0.235 |
0 |
0 |
0 |
0.000 |
| 43 |
52 |
|
[MAN]A:506 |
3 |
1 |
292 |
◊ |
[NAG]B:502 |
x,y,z |
1_555 |
7 |
1 |
358 |
37.8 |
0.4 |
0.083 |
0 |
0 |
0 |
0.000 |
| 44 |
53 |
|
[FUC]A:508 |
5 |
1 |
278 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
5 |
1 |
363 |
35.8 |
2.0 |
0.205 |
0 |
0 |
0 |
0.000 |
| 45 |
54 |
|
[MAN]B:506 |
5 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
12316 |
35.1 |
-0.1 |
0.125 |
0 |
0 |
0 |
0.000 |
| 46 |
55 |
|
[MAN]B:506 |
3 |
1 |
292 |
◊ |
[NAG]A:502 |
x,y,z |
1_555 |
6 |
1 |
363 |
33.5 |
0.6 |
0.130 |
1 |
0 |
0 |
0.000 |
| 47 |
56 |
|
[MAN]A:506 |
4 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
12069 |
31.3 |
-0.2 |
0.140 |
0 |
0 |
0 |
0.000 |
| 48 |
57 |
|
[FUC]B:508 |
3 |
1 |
282 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
12316 |
24.7 |
0.8 |
0.452 |
0 |
0 |
0 |
0.000 |
| 49 |
58 |
|
E |
5 |
2 |
3062 |
◊ |
[NAG]B:502 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
358 |
23.1 |
0.6 |
0.633 |
0 |
0 |
0 |
0.000 |
| 50 |
59 |
|
[MAN]B:506 |
5 |
1 |
292 |
f |
[NAG]B:502 |
x,y,z |
1_555 |
2 |
1 |
358 |
22.7 |
0.6 |
0.166 |
1 |
0 |
0 |
0.000 |
| 51 |
60 |
|
[FUC]B:508 |
2 |
1 |
282 |
f |
[MAN]B:504 |
x,y,z |
1_555 |
3 |
1 |
291 |
22.2 |
0.7 |
0.253 |
0 |
0 |
0 |
0.000 |
| 52 |
61 |
|
[FUC]A:508 |
4 |
1 |
278 |
◊ |
[MAN]B:506 |
x,y,z |
1_555 |
3 |
1 |
292 |
20.4 |
0.0 |
0.101 |
0 |
0 |
0 |
0.000 |
| 53 |
62 |
|
[MAN]A:506 |
5 |
1 |
292 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
2 |
1 |
363 |
20.0 |
0.7 |
0.165 |
0 |
0 |
0 |
0.000 |
| 54 |
63 |
|
[MAN]B:503 |
3 |
1 |
290 |
◊ |
[MAN]A:506 |
x,y,z |
1_555 |
3 |
1 |
292 |
17.9 |
0.3 |
0.169 |
0 |
0 |
0 |
0.000 |
| 55 |
64 |
|
[MAN]B:503 |
2 |
1 |
290 |
f |
[NAG]B:505 |
x,y,z |
1_555 |
4 |
1 |
362 |
17.4 |
0.9 |
0.250 |
0 |
0 |
0 |
0.000 |
65 |
|
[MAN]A:503 |
2 |
1 |
290 |
f |
[NAG]A:505 |
x,y,z |
1_555 |
3 |
1 |
363 |
17.3 |
0.8 |
0.250 |
0 |
0 |
0 |
0.000 |
| Average: |
17.4 |
0.8 |
0.250 |
0 |
0 |
0 |
0.000 |
| 56 |
66 |
|
[GAL]A:507 |
2 |
1 |
292 |
◊ |
Z |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
3177 |
15.2 |
0.0 |
0.224 |
0 |
0 |
0 |
0.000 |
| 57 |
67 |
|
[NAG]A:501 |
2 |
1 |
362 |
◊ |
Z |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
3177 |
15.0 |
0.5 |
0.438 |
0 |
0 |
0 |
0.000 |
| 58 |
68 |
|
E |
5 |
2 |
3062 |
◊ |
Z |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
2 |
3177 |
12.3 |
0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
| 59 |
69 |
|
[MAN]B:503 |
1 |
1 |
290 |
◊ |
[MAN]A:503 |
x,y,z |
1_555 |
1 |
1 |
290 |
12.0 |
0.3 |
0.182 |
0 |
0 |
0 |
0.000 |
| 60 |
70 |
|
[MAN]B:506 |
2 |
1 |
292 |
◊ |
[MAN]A:503 |
x,y,z |
1_555 |
3 |
1 |
290 |
8.9 |
0.2 |
0.264 |
0 |
0 |
0 |
0.000 |
| 61 |
71 |
|
[FUC]A:508 |
2 |
1 |
278 |
f |
[MAN]A:504 |
x,y,z |
1_555 |
1 |
1 |
292 |
8.7 |
0.0 |
0.226 |
0 |
0 |
0 |
0.000 |
| 62 |
72 |
|
A |
1 |
1 |
12069 |
x |
A |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
1 |
12069 |
8.6 |
0.3 |
0.751 |
0 |
0 |
0 |
0.000 |
| 63 |
73 |
|
[MAN]B:506 |
1 |
1 |
292 |
◊ |
[MAN]A:506 |
x,y,z |
1_555 |
1 |
1 |
292 |
6.6 |
0.2 |
0.182 |
0 |
0 |
0 |
0.000 |
| 64 |
74 |
|
[MAN]A:506 |
3 |
1 |
292 |
◊ |
[NAG]B:501 |
x,y,z |
1_555 |
2 |
1 |
363 |
4.3 |
0.1 |
0.167 |
0 |
0 |
0 |
0.000 |
| 65 |
75 |
|
[FUC]B:508 |
1 |
1 |
282 |
f |
[MAN]B:503 |
x,y,z |
1_555 |
1 |
1 |
290 |
3.0 |
0.2 |
0.191 |
0 |
0 |
0 |
0.000 |
| 66 |
76 |
|
[MAN]A:504 |
1 |
1 |
292 |
◊ |
Z |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
3177 |
3.0 |
-0.1 |
0.326 |
0 |
0 |
0 |
0.000 |
| 67 |
77 |
|
[MAN]B:506 |
1 |
1 |
292 |
◊ |
[NAG]A:501 |
x,y,z |
1_555 |
1 |
1 |
362 |
1.5 |
-0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 68 |
78 |
|
E |
1 |
1 |
3062 |
◊ |
[FUC]B:508 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
282 |
0.8 |
0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
|