## |
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 |
125 |
39 |
14485 |
◊ |
A |
x,y,z |
1_555 |
135 |
40 |
14314 |
1210.9 |
-9.2 |
0.231 |
14 |
14 |
0 |
0.000 |
2 |
2 |
|
B |
59 |
21 |
14485 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
65 |
16 |
14314 |
552.2 |
-4.0 |
0.339 |
5 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
60 |
19 |
14314 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
69 |
23 |
14485 |
511.9 |
-2.7 |
0.437 |
7 |
1 |
0 |
0.000 |
4 |
4 |
|
B |
35 |
10 |
14485 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
27 |
10 |
14485 |
264.0 |
0.8 |
0.700 |
4 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
37 |
9 |
14314 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
22 |
7 |
14314 |
259.4 |
0.0 |
0.608 |
4 |
4 |
0 |
0.000 |
6 |
6 |
|
[GAL]A:402 |
11 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
14314 |
140.7 |
2.6 |
0.351 |
8 |
0 |
0 |
0.000 |
7 |
|
[GAL]B:402 |
11 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
14485 |
139.9 |
2.6 |
0.334 |
7 |
0 |
0 |
0.000 |
Average: |
140.3 |
2.6 |
0.343 |
8 |
0 |
0 |
0.000 |
7 |
8 |
|
[GAL]A:404 |
10 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
14314 |
136.0 |
3.1 |
0.385 |
4 |
0 |
0 |
0.000 |
8 |
9 |
|
[GAL]B:404 |
9 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
14485 |
125.6 |
1.8 |
0.328 |
3 |
0 |
0 |
0.000 |
9 |
10 |
|
[SIA]A:401 |
10 |
1 |
421 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
14314 |
118.1 |
0.1 |
0.434 |
4 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]B:410 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
14485 |
114.2 |
2.6 |
0.363 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[SIA]B:401 |
10 |
1 |
423 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14485 |
112.9 |
0.3 |
0.443 |
4 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]A:408 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
14314 |
106.4 |
3.3 |
0.424 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:416 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
14314 |
105.9 |
3.3 |
0.466 |
2 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]A:409 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
14314 |
105.4 |
3.4 |
0.319 |
2 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:406 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
14314 |
99.4 |
3.2 |
0.517 |
2 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]B:417 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14485 |
93.9 |
2.8 |
0.490 |
5 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]B:412 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
14485 |
93.1 |
2.7 |
0.485 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]A:413 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14314 |
92.8 |
3.4 |
0.517 |
3 |
0 |
0 |
0.000 |
19 |
20 |
|
[BGC]A:403 |
8 |
1 |
304 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14314 |
88.9 |
1.8 |
0.319 |
2 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]B:408 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
14485 |
88.3 |
2.0 |
0.244 |
1 |
0 |
0 |
0.000 |
21 |
22 |
|
[BGC]B:403 |
8 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14485 |
88.3 |
2.6 |
0.405 |
4 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]B:411 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
14485 |
88.2 |
3.1 |
0.483 |
2 |
0 |
0 |
0.000 |
23 |
24 |
|
[BGC]A:405 |
7 |
1 |
304 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
14314 |
86.4 |
2.3 |
0.471 |
2 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]A:414 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
14314 |
85.5 |
2.5 |
0.277 |
3 |
0 |
0 |
0.000 |
25 |
26 |
|
[BGC]B:405 |
7 |
1 |
304 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
14485 |
81.9 |
2.0 |
0.422 |
3 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]B:407 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
14485 |
78.5 |
1.7 |
0.198 |
1 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]A:412 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
14314 |
75.3 |
2.9 |
0.327 |
1 |
0 |
0 |
0.000 |
28 |
29 |
|
[EDO]A:410 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
14314 |
74.1 |
2.0 |
0.274 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
[EDO]B:415 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14485 |
73.0 |
2.4 |
0.304 |
1 |
0 |
0 |
0.000 |
30 |
31 |
|
[EDO]B:409 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14314 |
72.9 |
1.1 |
0.186 |
1 |
0 |
0 |
0.000 |
31 |
32 |
|
[EDO]A:415 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
14314 |
72.8 |
2.3 |
0.306 |
3 |
0 |
0 |
0.000 |
32 |
33 |
|
[EDO]B:408 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
14314 |
72.3 |
2.0 |
0.242 |
1 |
0 |
0 |
0.000 |
33 |
34 |
|
[EDO]A:407 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14314 |
71.1 |
2.2 |
0.474 |
1 |
0 |
0 |
0.000 |
34 |
35 |
|
[EDO]B:414 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
12 |
6 |
14314 |
70.6 |
2.4 |
0.261 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[EDO]B:406 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
14485 |
68.3 |
1.7 |
0.269 |
1 |
0 |
0 |
0.000 |
36 |
37 |
|
[EDO]A:411 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
14314 |
67.7 |
2.1 |
0.272 |
1 |
0 |
0 |
0.000 |
37 |
38 |
|
[EDO]A:410 |
4 |
1 |
185 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
3 |
14314 |
65.8 |
2.0 |
0.874 |
1 |
0 |
0 |
0.000 |
38 |
39 |
|
[EDO]B:409 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
14485 |
65.5 |
1.6 |
0.263 |
1 |
0 |
0 |
0.000 |
39 |
40 |
|
[GAL]A:402 |
6 |
1 |
291 |
cf |
[SIA]A:401 |
x,y,z |
1_555 |
8 |
1 |
421 |
63.7 |
2.3 |
0.359 |
2 |
0 |
0 |
0.000 |
41 |
|
[GAL]B:402 |
7 |
1 |
290 |
cf |
[SIA]B:401 |
x,y,z |
1_555 |
7 |
1 |
423 |
60.3 |
2.0 |
0.284 |
1 |
0 |
0 |
0.000 |
Average: |
62.0 |
2.2 |
0.321 |
2 |
0 |
0 |
0.000 |
40 |
42 |
|
[BGC]A:405 |
5 |
1 |
304 |
cf |
[GAL]A:404 |
x,y,z |
1_555 |
8 |
1 |
292 |
62.6 |
0.9 |
0.084 |
0 |
0 |
0 |
0.000 |
43 |
|
[BGC]B:403 |
5 |
1 |
303 |
cf |
[GAL]B:402 |
x,y,z |
1_555 |
6 |
1 |
290 |
59.0 |
0.9 |
0.097 |
2 |
0 |
0 |
0.000 |
Average: |
60.8 |
0.9 |
0.091 |
1 |
0 |
0 |
0.000 |
41 |
44 |
|
[EDO]B:413 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
14485 |
62.0 |
1.5 |
0.206 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
[EDO]B:418 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
14485 |
61.9 |
0.8 |
0.569 |
1 |
0 |
0 |
0.000 |
43 |
46 |
|
[BGC]B:405 |
6 |
1 |
304 |
cf |
[GAL]B:404 |
x,y,z |
1_555 |
7 |
1 |
293 |
61.1 |
1.3 |
0.104 |
0 |
0 |
0 |
0.000 |
44 |
47 |
|
[EDO]B:412 |
4 |
1 |
184 |
f |
B |
x-1/2,-y-1/2,-z |
4_445 |
9 |
5 |
14485 |
59.8 |
1.2 |
0.671 |
0 |
0 |
0 |
0.000 |
45 |
48 |
|
[EDO]A:407 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
14485 |
59.6 |
1.5 |
0.263 |
0 |
0 |
0 |
0.000 |
46 |
49 |
|
[BGC]A:403 |
6 |
1 |
304 |
cf |
[GAL]A:402 |
x,y,z |
1_555 |
7 |
1 |
291 |
55.4 |
0.9 |
0.084 |
0 |
0 |
0 |
0.000 |
47 |
50 |
|
[EDO]A:415 |
3 |
1 |
182 |
f |
A |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
4 |
14314 |
45.1 |
0.9 |
0.822 |
2 |
0 |
0 |
0.000 |
48 |
51 |
|
[EDO]A:412 |
3 |
1 |
186 |
f |
A |
x-1,y,z |
1_455 |
5 |
1 |
14314 |
43.0 |
1.3 |
0.817 |
1 |
0 |
0 |
0.000 |
49 |
52 |
|
A |
9 |
2 |
14314 |
◊ |
[EDO]B:406 |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
184 |
41.5 |
0.7 |
0.621 |
0 |
0 |
0 |
0.000 |
50 |
53 |
|
[EDO]B:410 |
3 |
1 |
184 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
14314 |
38.3 |
0.7 |
0.766 |
1 |
0 |
0 |
0.000 |
51 |
54 |
|
[EDO]B:414 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14485 |
38.3 |
1.6 |
0.928 |
0 |
0 |
0 |
0.000 |
52 |
55 |
|
[EDO]A:406 |
2 |
1 |
184 |
f |
A |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
14314 |
35.9 |
0.3 |
0.428 |
0 |
0 |
0 |
0.000 |
53 |
56 |
|
[EDO]B:416 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14485 |
35.4 |
0.7 |
0.664 |
0 |
0 |
0 |
0.000 |
54 |
57 |
|
[EDO]B:406 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
14314 |
31.2 |
0.7 |
0.859 |
1 |
0 |
0 |
0.000 |
55 |
58 |
|
[EDO]A:416 |
3 |
1 |
184 |
f |
[EDO]A:408 |
x,y,z |
1_555 |
2 |
1 |
184 |
28.5 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
56 |
59 |
|
[EDO]A:410 |
3 |
1 |
185 |
◊ |
[EDO]B:406 |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
184 |
27.6 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
57 |
60 |
|
[EDO]B:409 |
2 |
1 |
184 |
f |
[EDO]A:407 |
x,y,z |
1_555 |
4 |
1 |
183 |
25.1 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
58 |
61 |
|
A |
3 |
1 |
14314 |
x |
A |
x-1,y,z |
1_455 |
3 |
1 |
14314 |
23.7 |
0.2 |
0.691 |
0 |
0 |
0 |
0.000 |
59 |
62 |
|
[BGC]A:403 |
2 |
1 |
304 |
f |
[SIA]A:401 |
x,y,z |
1_555 |
4 |
1 |
421 |
20.5 |
0.6 |
0.354 |
0 |
0 |
0 |
0.000 |
60 |
63 |
|
A |
3 |
1 |
14314 |
f |
[BGC]A:405 |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
304 |
19.0 |
0.5 |
0.490 |
0 |
0 |
0 |
0.000 |
61 |
64 |
|
B |
3 |
1 |
14485 |
f |
[BGC]B:405 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
304 |
19.0 |
0.4 |
0.359 |
0 |
0 |
0 |
0.000 |
62 |
65 |
|
[EDO]B:418 |
1 |
1 |
184 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
14485 |
15.1 |
0.7 |
0.959 |
0 |
0 |
0 |
0.000 |
63 |
66 |
|
[BGC]B:403 |
2 |
1 |
303 |
f |
[SIA]B:401 |
x,y,z |
1_555 |
4 |
1 |
423 |
13.5 |
0.5 |
0.372 |
0 |
0 |
0 |
0.000 |
64 |
67 |
|
A |
2 |
2 |
14314 |
◊ |
[BGC]B:403 |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
303 |
10.0 |
0.1 |
0.332 |
0 |
0 |
0 |
0.000 |
65 |
68 |
|
[EDO]A:409 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
14485 |
9.5 |
0.2 |
0.860 |
0 |
0 |
0 |
0.000 |
66 |
69 |
|
[EDO]B:414 |
2 |
1 |
184 |
f |
[EDO]B:413 |
x,y,z |
1_555 |
1 |
1 |
183 |
7.9 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
67 |
70 |
|
[EDO]A:416 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
14485 |
3.3 |
0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
68 |
71 |
|
[EDO]B:413 |
1 |
1 |
183 |
f |
[GAL]B:404 |
x,y,z |
1_555 |
2 |
1 |
293 |
1.9 |
0.1 |
0.514 |
0 |
0 |
0 |
0.000 |
69 |
72 |
|
[EDO]B:407 |
1 |
1 |
185 |
f |
[SIA]B:401 |
x,y,z |
1_555 |
1 |
1 |
423 |
1.5 |
0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|