## |
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 |
111 |
26 |
23557 |
◊ |
A |
x,y,z |
1_555 |
112 |
28 |
23841 |
937.2 |
-8.0 |
0.220 |
9 |
3 |
0 |
0.000 |
2 |
2 |
|
[D0W]A:710 |
36 |
1 |
745 |
f |
A |
x,y,z |
1_555 |
76 |
28 |
23841 |
480.3 |
-9.1 |
0.334 |
7 |
0 |
0 |
0.037 |
3 |
|
[D0W]B:711 |
37 |
1 |
736 |
f |
B |
x,y,z |
1_555 |
76 |
27 |
23557 |
469.2 |
-8.4 |
0.328 |
10 |
0 |
0 |
0.037 |
Average: |
474.8 |
-8.8 |
0.331 |
9 |
0 |
0 |
0.037 |
3 |
4 |
|
B |
53 |
17 |
23557 |
◊ |
A |
x,y-1,z |
1_545 |
55 |
18 |
23841 |
453.4 |
-0.0 |
0.672 |
1 |
2 |
0 |
0.000 |
4 |
5 |
|
A |
41 |
14 |
23841 |
◊ |
B |
x-1,y,z+1 |
1_456 |
48 |
19 |
23557 |
368.0 |
-4.6 |
0.200 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
37 |
12 |
23557 |
x |
B |
x-1,y,z |
1_455 |
29 |
7 |
23557 |
289.6 |
2.2 |
0.851 |
2 |
3 |
0 |
0.000 |
6 |
7 |
|
[PE8]B:721 |
23 |
1 |
667 |
f |
B |
x,y,z |
1_555 |
37 |
11 |
23557 |
277.5 |
-0.2 |
0.199 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
28 |
10 |
23841 |
◊ |
B |
x-1,y+1,z+1 |
1_466 |
28 |
10 |
23557 |
271.4 |
2.8 |
0.902 |
1 |
3 |
0 |
0.000 |
8 |
9 |
|
A |
30 |
8 |
23841 |
◊ |
[PE8]B:721 |
x-1,y+1,z+1 |
1_466 |
22 |
1 |
667 |
233.8 |
3.4 |
0.404 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[PEG]A:712 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
23841 |
173.0 |
3.2 |
0.376 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[PG4]A:713 |
11 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
23557 |
167.6 |
3.1 |
0.301 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[PEG]B:714 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
32 |
13 |
23557 |
160.4 |
4.0 |
0.454 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[NAG]B:703 |
12 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
19 |
6 |
23557 |
151.9 |
3.5 |
0.361 |
1 |
0 |
0 |
0.000 |
13 |
14 |
|
[NAG]A:703 |
12 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
19 |
6 |
23841 |
147.5 |
2.9 |
0.337 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
B |
20 |
8 |
23557 |
◊ |
A |
x,y,z-1 |
1_554 |
19 |
8 |
23841 |
147.1 |
-2.3 |
0.228 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[NAG]A:707 |
10 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
22 |
7 |
23841 |
142.4 |
4.7 |
0.574 |
2 |
0 |
0 |
0.000 |
16 |
17 |
|
[NAG]B:701 |
10 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
21 |
7 |
23557 |
134.1 |
4.3 |
0.508 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
[PG4]A:713 |
8 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
23841 |
120.7 |
3.9 |
0.453 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
A |
19 |
7 |
23841 |
◊ |
[PEG]B:713 |
x-1,y+1,z+1 |
1_466 |
7 |
1 |
257 |
120.5 |
1.6 |
0.189 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]B:717 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
23557 |
117.6 |
2.2 |
0.387 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]B:719 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
23557 |
108.3 |
2.5 |
0.339 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[FUC]A:705 |
9 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
23841 |
107.8 |
2.0 |
0.317 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[ACT]A:717 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
23841 |
105.1 |
0.2 |
0.714 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[EDO]A:715 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
23841 |
102.8 |
2.3 |
0.256 |
3 |
0 |
0 |
0.000 |
24 |
25 |
|
[FUC]A:702 |
9 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
23841 |
97.4 |
2.0 |
0.257 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[NAG]A:701 |
10 |
1 |
354 |
cf |
A |
x,y,z |
1_555 |
12 |
5 |
23841 |
93.3 |
2.8 |
0.418 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[NAG]B:707 |
8 |
1 |
346 |
cf |
B |
x,y,z |
1_555 |
10 |
4 |
23557 |
92.7 |
3.3 |
0.591 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]B:720 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
23557 |
91.1 |
2.4 |
0.259 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[NAG]A:701 |
6 |
1 |
354 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
23557 |
90.3 |
2.8 |
0.606 |
1 |
0 |
0 |
0.000 |
30 |
|
[NAG]B:707 |
8 |
1 |
346 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
23841 |
87.5 |
2.0 |
0.408 |
1 |
0 |
0 |
0.000 |
Average: |
88.9 |
2.4 |
0.507 |
1 |
0 |
0 |
0.000 |
29 |
31 |
|
[NAG]A:704 |
11 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
23841 |
86.6 |
0.8 |
0.120 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[NAG]B:704 |
10 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
23557 |
81.2 |
0.9 |
0.174 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[FUC]B:708 |
7 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
23557 |
80.5 |
1.6 |
0.373 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[EDO]B:718 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
23557 |
78.8 |
2.3 |
0.295 |
1 |
0 |
0 |
0.000 |
33 |
35 |
|
[NAG]A:708 |
9 |
1 |
362 |
cf |
[NAG]A:707 |
x,y,z |
1_555 |
6 |
1 |
365 |
76.2 |
1.8 |
0.097 |
0 |
0 |
0 |
0.000 |
36 |
|
[NAG]B:704 |
9 |
1 |
365 |
cf |
[NAG]B:703 |
x,y,z |
1_555 |
5 |
1 |
360 |
74.4 |
1.7 |
0.100 |
0 |
0 |
0 |
0.000 |
37 |
|
[NAG]B:702 |
9 |
1 |
361 |
cf |
[NAG]B:701 |
x,y,z |
1_555 |
6 |
1 |
363 |
71.4 |
1.8 |
0.096 |
0 |
0 |
0 |
0.000 |
Average: |
74.0 |
1.8 |
0.098 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[NAG]A:704 |
9 |
1 |
360 |
cf |
[NAG]A:703 |
x,y,z |
1_555 |
6 |
1 |
362 |
75.0 |
1.6 |
0.094 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[NAG]B:709 |
10 |
1 |
355 |
cf |
[NAG]B:707 |
x,y,z |
1_555 |
6 |
1 |
346 |
70.5 |
1.4 |
0.084 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[CL]A:711 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
23841 |
68.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.037 |
41 |
|
[CL]B:712 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
23557 |
68.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
68.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.037 |
37 |
42 |
|
[BMA]A:706 |
7 |
1 |
291 |
cf |
[NAG]A:704 |
x,y,z |
1_555 |
4 |
1 |
360 |
62.6 |
1.2 |
0.124 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[PEG]B:713 |
6 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
23557 |
62.0 |
1.3 |
0.205 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[FUC]A:702 |
5 |
1 |
278 |
cf |
[NAG]A:701 |
x,y,z |
1_555 |
6 |
1 |
354 |
61.9 |
2.1 |
0.231 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[FUC]A:705 |
5 |
1 |
279 |
cf |
[NAG]A:703 |
x,y,z |
1_555 |
5 |
1 |
362 |
60.7 |
2.7 |
0.294 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[BMA]B:705 |
7 |
1 |
294 |
cf |
[NAG]B:704 |
x,y,z |
1_555 |
4 |
1 |
365 |
60.5 |
1.0 |
0.120 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[BMA]B:705 |
7 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
7 |
1 |
23557 |
59.9 |
1.2 |
0.319 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[BMA]A:706 |
7 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
23841 |
58.6 |
1.7 |
0.374 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
[MG]B:716 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
23557 |
58.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.022 |
50 |
|
[MG]A:714 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
23841 |
53.6 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
55.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.022 |
45 |
51 |
|
[FUC]B:706 |
5 |
1 |
277 |
cf |
[NAG]B:703 |
x,y,z |
1_555 |
5 |
1 |
360 |
57.6 |
2.1 |
0.228 |
0 |
0 |
0 |
0.000 |
46 |
52 |
|
[ACT]A:716 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
23841 |
55.9 |
-0.5 |
0.606 |
0 |
0 |
0 |
0.001 |
47 |
53 |
|
[MG]B:715 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
23557 |
55.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.022 |
48 |
54 |
|
B |
11 |
3 |
23557 |
◊ |
[FUC]B:706 |
x-1,y,z |
1_455 |
5 |
1 |
277 |
55.4 |
0.6 |
0.297 |
0 |
0 |
0 |
0.000 |
49 |
55 |
|
[FUC]B:708 |
7 |
1 |
275 |
cf |
[NAG]B:707 |
x,y,z |
1_555 |
6 |
1 |
346 |
54.9 |
1.1 |
0.114 |
0 |
0 |
0 |
0.000 |
50 |
56 |
|
[PE8]B:721 |
5 |
1 |
667 |
f |
[PEG]B:713 |
x,y,z |
1_555 |
5 |
1 |
257 |
52.4 |
1.1 |
0.151 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
[FUC]B:706 |
4 |
1 |
277 |
f |
[NAG]B:704 |
x,y,z |
1_555 |
8 |
1 |
365 |
47.4 |
2.0 |
0.187 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
[NAG]A:708 |
4 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
23841 |
43.2 |
1.4 |
0.513 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
[FUC]B:708 |
4 |
1 |
275 |
f |
[NAG]B:709 |
x,y,z |
1_555 |
6 |
1 |
355 |
41.1 |
1.9 |
0.239 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[ZN]A:709 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
8 |
5 |
23841 |
36.0 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.069 |
61 |
|
[ZN]B:710 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
23557 |
35.7 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
35.8 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.069 |
55 |
62 |
|
[D0W]B:711 |
6 |
1 |
736 |
cf |
[ZN]B:710 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.4 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.044 |
63 |
|
[D0W]A:710 |
7 |
1 |
745 |
f |
[ZN]A:709 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.2 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
33.3 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.044 |
56 |
64 |
|
[NAG]B:702 |
3 |
1 |
361 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
3 |
23841 |
28.2 |
0.6 |
0.351 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
[FUC]A:705 |
3 |
1 |
279 |
f |
[NAG]A:704 |
x,y,z |
1_555 |
4 |
1 |
360 |
27.0 |
1.1 |
0.245 |
0 |
0 |
0 |
0.000 |
58 |
66 |
|
[NAG]B:702 |
4 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
23557 |
26.6 |
0.8 |
0.391 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
B |
2 |
1 |
23557 |
◊ |
[NAG]B:703 |
x-1,y,z |
1_455 |
3 |
1 |
360 |
11.9 |
-0.1 |
0.213 |
0 |
0 |
0 |
0.000 |
60 |
68 |
|
[FUC]B:706 |
1 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
23557 |
7.5 |
0.3 |
0.406 |
0 |
0 |
0 |
0.000 |
61 |
69 |
|
[MG]B:716 |
1 |
1 |
98 |
f |
[MG]B:715 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.004 |
62 |
70 |
|
[NAG]B:709 |
1 |
1 |
355 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
23557 |
7.4 |
0.1 |
0.280 |
0 |
0 |
0 |
0.000 |
63 |
71 |
|
[FUC]A:702 |
1 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
23557 |
5.5 |
0.1 |
0.380 |
0 |
0 |
0 |
0.000 |
64 |
72 |
|
[NAG]B:709 |
1 |
1 |
355 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
23841 |
2.3 |
0.1 |
0.327 |
0 |
0 |
0 |
0.000 |
65 |
73 |
|
[BMA]B:705 |
1 |
1 |
294 |
f |
[FUC]B:706 |
x,y,z |
1_555 |
1 |
1 |
277 |
1.5 |
0.1 |
0.191 |
0 |
0 |
0 |
0.000 |
|