## |
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 |
113 |
32 |
12431 |
◊ |
A |
x,y,z |
1_555 |
117 |
34 |
12636 |
1100.8 |
-10.8 |
0.203 |
8 |
7 |
0 |
0.000 |
2 |
2 |
|
C |
57 |
15 |
8739 |
◊ |
A |
x,y,z |
1_555 |
62 |
19 |
12636 |
537.5 |
-1.9 |
0.537 |
9 |
3 |
0 |
0.000 |
3 |
3 |
|
B |
50 |
11 |
12431 |
x |
B |
y,x-1,-z |
7_545 |
44 |
14 |
12431 |
424.9 |
0.2 |
0.699 |
5 |
4 |
0 |
0.000 |
4 |
4 |
|
C |
43 |
14 |
8739 |
◊ |
B |
x,y,z |
1_555 |
36 |
12 |
12431 |
369.2 |
-4.8 |
0.235 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
45 |
12 |
12636 |
◊ |
C |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
40 |
12 |
8739 |
351.2 |
-2.5 |
0.471 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
23 |
8 |
12431 |
◊ |
B |
y,x,-z |
7_555 |
22 |
8 |
12431 |
189.5 |
0.2 |
0.674 |
4 |
4 |
0 |
0.000 |
7 |
7 |
|
A |
14 |
3 |
12636 |
x |
A |
x-1/2,-y-1/2,-z-1/4 |
6_444 |
22 |
8 |
12636 |
174.7 |
0.4 |
0.642 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[NAG]B:1001 |
13 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
20 |
8 |
12431 |
165.2 |
4.3 |
0.397 |
1 |
0 |
0 |
0.000 |
9 |
|
[NAG]A:1001 |
13 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
17 |
6 |
12636 |
132.8 |
2.9 |
0.288 |
1 |
0 |
0 |
0.000 |
Average: |
149.0 |
3.6 |
0.342 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[NAG]C:1003 |
11 |
1 |
366 |
cf |
C |
x,y,z |
1_555 |
23 |
7 |
8739 |
150.9 |
3.4 |
0.447 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
[NAG]C:1001 |
12 |
1 |
366 |
cf |
C |
x,y,z |
1_555 |
16 |
6 |
8739 |
147.7 |
5.1 |
0.461 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[GAL]A:1008 |
10 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
12636 |
140.8 |
3.0 |
0.373 |
3 |
0 |
0 |
0.000 |
13 |
|
[GAL]B:1008 |
10 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
12431 |
135.5 |
2.3 |
0.291 |
3 |
0 |
0 |
0.000 |
Average: |
138.1 |
2.6 |
0.332 |
3 |
0 |
0 |
0.000 |
12 |
14 |
|
[NAG]A:1007 |
10 |
1 |
357 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
12636 |
119.4 |
3.0 |
0.343 |
2 |
0 |
0 |
0.000 |
15 |
|
[NAG]B:1007 |
9 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
12431 |
100.4 |
1.6 |
0.268 |
0 |
0 |
0 |
0.000 |
Average: |
109.9 |
2.3 |
0.306 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[NAG]A:1002 |
11 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
12636 |
114.0 |
1.8 |
0.243 |
1 |
0 |
0 |
0.000 |
17 |
|
[NAG]B:1002 |
11 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
12431 |
110.4 |
1.8 |
0.243 |
1 |
0 |
0 |
0.000 |
Average: |
112.2 |
1.8 |
0.243 |
1 |
0 |
0 |
0.000 |
14 |
18 |
|
[NAG]C:1004 |
10 |
1 |
364 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
8739 |
86.5 |
0.7 |
0.169 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[NAG]C:1004 |
10 |
1 |
364 |
cf |
[NAG]C:1003 |
x,y,z |
1_555 |
7 |
1 |
366 |
75.6 |
1.8 |
0.091 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[NAG]B:1002 |
10 |
1 |
364 |
cf |
[NAG]B:1001 |
x,y,z |
1_555 |
6 |
1 |
360 |
73.2 |
1.9 |
0.094 |
1 |
0 |
0 |
0.000 |
21 |
|
[NAG]A:1002 |
10 |
1 |
363 |
cf |
[NAG]A:1001 |
x,y,z |
1_555 |
6 |
1 |
360 |
67.6 |
1.9 |
0.098 |
1 |
0 |
0 |
0.000 |
Average: |
70.4 |
1.9 |
0.096 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[MAN]B:1006 |
8 |
1 |
289 |
cf |
[NAG]B:1007 |
x,y,z |
1_555 |
7 |
1 |
356 |
70.2 |
2.5 |
0.136 |
0 |
0 |
0 |
0.000 |
23 |
|
[MAN]A:1006 |
8 |
1 |
291 |
cf |
[NAG]A:1007 |
x,y,z |
1_555 |
6 |
1 |
357 |
69.0 |
2.5 |
0.166 |
0 |
0 |
0 |
0.000 |
24 |
|
[MAN]B:1004 |
7 |
1 |
294 |
cf |
[NAG]B:1005 |
x,y,z |
1_555 |
9 |
1 |
355 |
66.5 |
2.4 |
0.126 |
0 |
0 |
0 |
0.000 |
Average: |
68.6 |
2.5 |
0.143 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[MAN]A:1004 |
6 |
1 |
292 |
cf |
[NAG]A:1005 |
x,y,z |
1_555 |
9 |
1 |
353 |
68.3 |
2.5 |
0.150 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[BMA]C:1005 |
6 |
1 |
294 |
cf |
[NAG]C:1004 |
x,y,z |
1_555 |
5 |
1 |
364 |
65.5 |
1.7 |
0.169 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[BMA]B:1003 |
7 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
12431 |
65.3 |
0.9 |
0.183 |
0 |
0 |
0 |
0.000 |
28 |
|
[BMA]A:1003 |
7 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
12636 |
61.4 |
0.9 |
0.198 |
0 |
0 |
0 |
0.000 |
Average: |
63.4 |
0.9 |
0.191 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[FUC]C:1002 |
7 |
1 |
281 |
cf |
[NAG]C:1001 |
x,y,z |
1_555 |
5 |
1 |
366 |
60.7 |
2.7 |
0.192 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[GAL]B:1008 |
8 |
1 |
295 |
cf |
[NAG]B:1007 |
x,y,z |
1_555 |
5 |
1 |
356 |
60.4 |
1.1 |
0.071 |
0 |
0 |
0 |
0.000 |
31 |
|
[GAL]A:1008 |
7 |
1 |
293 |
cf |
[NAG]A:1007 |
x,y,z |
1_555 |
5 |
1 |
357 |
58.0 |
1.0 |
0.106 |
0 |
0 |
0 |
0.000 |
Average: |
59.2 |
1.0 |
0.088 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[BMA]B:1003 |
6 |
1 |
289 |
cf |
[NAG]B:1002 |
x,y,z |
1_555 |
5 |
1 |
364 |
59.5 |
1.2 |
0.140 |
1 |
0 |
0 |
0.000 |
33 |
|
[BMA]A:1003 |
6 |
1 |
290 |
cf |
[NAG]A:1002 |
x,y,z |
1_555 |
5 |
1 |
363 |
58.8 |
1.1 |
0.120 |
1 |
0 |
0 |
0.000 |
Average: |
59.2 |
1.2 |
0.130 |
1 |
0 |
0 |
0.000 |
24 |
34 |
|
[MAN]B:1004 |
8 |
1 |
294 |
cf |
[BMA]B:1003 |
x,y,z |
1_555 |
6 |
1 |
289 |
58.7 |
2.6 |
0.175 |
0 |
0 |
0 |
0.000 |
35 |
|
[MAN]A:1004 |
6 |
1 |
292 |
cf |
[BMA]A:1003 |
x,y,z |
1_555 |
5 |
1 |
290 |
58.2 |
2.5 |
0.272 |
0 |
0 |
0 |
0.000 |
Average: |
58.4 |
2.5 |
0.224 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[FUC]C:1002 |
5 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
8739 |
58.1 |
2.2 |
0.555 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
[FUC]B:1009 |
5 |
1 |
279 |
cf |
[NAG]B:1001 |
x,y,z |
1_555 |
5 |
1 |
360 |
54.6 |
2.2 |
0.262 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[NAG]A:1001 |
3 |
1 |
360 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
8739 |
54.4 |
1.7 |
0.712 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
[MAN]B:1006 |
4 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
12431 |
54.2 |
1.4 |
0.480 |
1 |
0 |
0 |
0.000 |
40 |
|
[MAN]A:1006 |
4 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
12636 |
45.6 |
1.2 |
0.382 |
0 |
0 |
0 |
0.000 |
Average: |
49.9 |
1.3 |
0.431 |
1 |
0 |
0 |
0.000 |
29 |
41 |
|
[FUC]A:1009 |
4 |
1 |
279 |
cf |
[NAG]A:1001 |
x,y,z |
1_555 |
7 |
1 |
360 |
53.9 |
2.3 |
0.210 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
[MAN]B:1006 |
6 |
1 |
289 |
f |
[NAG]B:1002 |
x,y,z |
1_555 |
6 |
1 |
364 |
53.1 |
1.9 |
0.162 |
0 |
0 |
0 |
0.000 |
43 |
|
[MAN]A:1006 |
6 |
1 |
291 |
f |
[NAG]A:1002 |
x,y,z |
1_555 |
6 |
1 |
363 |
51.0 |
2.0 |
0.177 |
0 |
0 |
0 |
0.000 |
Average: |
52.0 |
1.9 |
0.169 |
0 |
0 |
0 |
0.000 |
31 |
44 |
|
[MAN]A:1006 |
6 |
1 |
291 |
cf |
[BMA]A:1003 |
x,y,z |
1_555 |
3 |
1 |
290 |
51.9 |
2.3 |
0.283 |
0 |
0 |
0 |
0.000 |
45 |
|
[MAN]B:1006 |
6 |
1 |
289 |
cf |
[BMA]B:1003 |
x,y,z |
1_555 |
3 |
1 |
289 |
51.1 |
2.2 |
0.291 |
0 |
0 |
0 |
0.000 |
Average: |
51.5 |
2.3 |
0.287 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[FUC]B:1009 |
4 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
12431 |
51.2 |
1.1 |
0.440 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[FUC]A:1009 |
5 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12636 |
49.4 |
1.3 |
0.422 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[CL]A:1010 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12636 |
47.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
[NAG]C:1001 |
6 |
1 |
366 |
◊ |
[NAG]A:1001 |
x,y,z |
1_555 |
5 |
1 |
360 |
44.1 |
2.1 |
0.192 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[FUC]B:1009 |
4 |
1 |
279 |
f |
[NAG]B:1002 |
x,y,z |
1_555 |
5 |
1 |
364 |
43.2 |
2.0 |
0.274 |
1 |
0 |
0 |
0.000 |
37 |
51 |
|
[NAG]A:1005 |
4 |
1 |
353 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
12636 |
42.5 |
0.9 |
0.341 |
0 |
0 |
0 |
0.000 |
38 |
52 |
|
[FUC]A:1009 |
4 |
1 |
279 |
f |
[NAG]A:1002 |
x,y,z |
1_555 |
5 |
1 |
363 |
42.4 |
2.0 |
0.268 |
1 |
0 |
0 |
0.000 |
39 |
53 |
|
[NAG]B:1005 |
3 |
1 |
355 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
12431 |
34.4 |
1.0 |
0.482 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
[MAN]B:1004 |
5 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
12431 |
33.3 |
-0.1 |
0.124 |
0 |
0 |
0 |
0.000 |
55 |
|
[MAN]A:1004 |
5 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
12636 |
30.1 |
-0.3 |
0.140 |
0 |
0 |
0 |
0.000 |
Average: |
31.7 |
-0.2 |
0.132 |
0 |
0 |
0 |
0.000 |
41 |
56 |
|
[CL]A:1010 |
1 |
1 |
125 |
f |
[NAG]A:1007 |
x,y,z |
1_555 |
7 |
1 |
357 |
32.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
57 |
|
[BMA]A:1003 |
3 |
1 |
290 |
f |
[NAG]A:1005 |
x,y,z |
1_555 |
5 |
1 |
353 |
27.0 |
0.8 |
0.162 |
0 |
0 |
0 |
0.000 |
43 |
58 |
|
[BMA]B:1003 |
3 |
1 |
289 |
f |
[NAG]B:1005 |
x,y,z |
1_555 |
4 |
1 |
355 |
25.6 |
1.1 |
0.242 |
0 |
0 |
0 |
0.000 |
44 |
59 |
|
[MAN]B:1004 |
3 |
1 |
294 |
f |
[NAG]B:1002 |
x,y,z |
1_555 |
2 |
1 |
364 |
19.8 |
0.7 |
0.256 |
0 |
0 |
0 |
0.000 |
60 |
|
[MAN]A:1004 |
3 |
1 |
292 |
f |
[NAG]A:1002 |
x,y,z |
1_555 |
2 |
1 |
363 |
17.3 |
0.6 |
0.251 |
0 |
0 |
0 |
0.000 |
Average: |
18.6 |
0.7 |
0.253 |
0 |
0 |
0 |
0.000 |
45 |
61 |
|
[BMA]B:1003 |
2 |
1 |
289 |
f |
[NAG]B:1007 |
x,y,z |
1_555 |
3 |
1 |
356 |
17.4 |
0.8 |
0.257 |
0 |
0 |
0 |
0.000 |
62 |
|
[BMA]A:1003 |
2 |
1 |
290 |
f |
[NAG]A:1007 |
x,y,z |
1_555 |
3 |
1 |
357 |
16.3 |
0.8 |
0.255 |
0 |
0 |
0 |
0.000 |
Average: |
16.8 |
0.8 |
0.256 |
0 |
0 |
0 |
0.000 |
46 |
63 |
|
[BMA]C:1005 |
2 |
1 |
294 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
8739 |
15.7 |
0.2 |
0.212 |
0 |
0 |
0 |
0.000 |
47 |
64 |
|
[FUC]C:1002 |
1 |
1 |
281 |
◊ |
[NAG]B:1005 |
x,y,z |
1_555 |
3 |
1 |
355 |
12.4 |
0.3 |
0.184 |
0 |
0 |
0 |
0.000 |
48 |
65 |
|
[FUC]B:1009 |
2 |
1 |
279 |
f |
[MAN]B:1006 |
x,y,z |
1_555 |
1 |
1 |
289 |
8.4 |
-0.1 |
0.226 |
0 |
0 |
0 |
0.000 |
49 |
66 |
|
[CL]A:1010 |
1 |
1 |
125 |
f |
[MAN]A:1006 |
x,y,z |
1_555 |
2 |
1 |
291 |
8.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
67 |
|
[FUC]A:1009 |
2 |
1 |
279 |
f |
[MAN]A:1006 |
x,y,z |
1_555 |
1 |
1 |
291 |
8.2 |
-0.0 |
0.226 |
0 |
0 |
0 |
0.000 |
51 |
68 |
|
[MAN]B:1004 |
1 |
1 |
294 |
◊ |
[MAN]A:1004 |
x,y,z |
1_555 |
3 |
1 |
292 |
7.4 |
-0.2 |
0.174 |
0 |
0 |
0 |
0.000 |
52 |
69 |
|
[FUC]A:1009 |
2 |
1 |
279 |
◊ |
[NAG]C:1001 |
x,y,z |
1_555 |
2 |
1 |
366 |
4.9 |
0.0 |
0.227 |
0 |
0 |
0 |
0.000 |
53 |
70 |
|
A |
1 |
1 |
12636 |
◊ |
C |
x-1,y-1,z |
1_445 |
1 |
1 |
8739 |
2.8 |
-0.1 |
0.427 |
0 |
0 |
0 |
0.000 |
54 |
71 |
|
[NAG]C:1001 |
1 |
1 |
366 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12636 |
1.9 |
0.0 |
0.315 |
0 |
0 |
0 |
0.000 |
55 |
72 |
|
[CL]A:1010 |
1 |
1 |
125 |
f |
[GAL]A:1008 |
x,y,z |
1_555 |
1 |
1 |
293 |
1.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
73 |
|
[FUC]C:1002 |
1 |
1 |
281 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12431 |
1.4 |
0.0 |
0.382 |
0 |
0 |
0 |
0.000 |
57 |
74 |
|
[NAG]C:1001 |
1 |
1 |
366 |
◊ |
[NAG]A:1002 |
x,y,z |
1_555 |
1 |
1 |
363 |
0.6 |
0.0 |
0.143 |
0 |
0 |
0 |
0.000 |
|