| ## |
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 |
|
D |
304 |
68 |
6782 |
◊ |
C |
x,y,z |
1_555 |
334 |
80 |
13226 |
3137.1 |
-44.2 |
0.127 |
52 |
8 |
0 |
1.000 |
2 |
|
B |
294 |
65 |
6745 |
◊ |
A |
x,y,z |
1_555 |
328 |
79 |
13042 |
3041.1 |
-46.7 |
0.075 |
49 |
3 |
0 |
1.000 |
| Average: |
3089.1 |
-45.4 |
0.101 |
51 |
6 |
0 |
1.000 |
| 2 |
3 |
|
C |
70 |
24 |
13226 |
◊ |
A |
x,y,z |
1_555 |
57 |
19 |
13042 |
563.2 |
-3.8 |
0.571 |
3 |
2 |
0 |
0.000 |
| 3 |
4 |
|
A |
34 |
10 |
13042 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
33 |
10 |
13226 |
342.4 |
1.8 |
0.879 |
8 |
4 |
0 |
0.000 |
| 4 |
5 |
|
C |
37 |
9 |
13226 |
◊ |
C |
-x,y,-z |
2_555 |
37 |
9 |
13226 |
335.2 |
1.3 |
0.854 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
39 |
10 |
13042 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
40 |
11 |
13042 |
333.5 |
-6.7 |
0.138 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
13 |
5 |
6745 |
◊ |
C |
x,y-1,z |
1_545 |
24 |
6 |
13226 |
165.5 |
-0.8 |
0.652 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[NAG]A:401 |
13 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
26 |
10 |
13042 |
161.4 |
4.6 |
0.469 |
1 |
0 |
0 |
0.000 |
9 |
|
[NAG]C:401 |
13 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
24 |
10 |
13226 |
152.1 |
4.0 |
0.342 |
2 |
0 |
0 |
0.000 |
| Average: |
156.8 |
4.3 |
0.405 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
C |
14 |
6 |
13226 |
◊ |
C |
-x,y,-z+1 |
2_556 |
15 |
6 |
13226 |
135.4 |
2.3 |
0.915 |
4 |
0 |
0 |
0.000 |
| 9 |
11 |
|
C |
19 |
6 |
13226 |
◊ |
A |
-x,y,-z |
2_555 |
14 |
5 |
13042 |
133.5 |
-0.9 |
0.437 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
D |
12 |
3 |
6782 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
13 |
4 |
6745 |
129.5 |
-1.9 |
0.458 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
B |
15 |
4 |
6745 |
◊ |
D |
x,y-1,z |
1_545 |
13 |
4 |
6782 |
120.9 |
-1.5 |
0.550 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[NAG]C:403 |
12 |
1 |
361 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
13226 |
118.9 |
2.1 |
0.241 |
2 |
0 |
0 |
0.000 |
15 |
|
[NAG]A:403 |
12 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
13042 |
114.5 |
1.8 |
0.212 |
2 |
0 |
0 |
0.000 |
| Average: |
116.7 |
2.0 |
0.226 |
2 |
0 |
0 |
0.000 |
| 13 |
16 |
|
C |
15 |
7 |
13226 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
12 |
4 |
13042 |
117.0 |
-1.9 |
0.309 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[MAN]C:405 |
8 |
1 |
294 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
13226 |
97.6 |
1.2 |
0.273 |
1 |
0 |
0 |
0.000 |
18 |
|
[MAN]A:405 |
9 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13042 |
94.4 |
1.0 |
0.217 |
0 |
0 |
0 |
0.000 |
| Average: |
96.0 |
1.1 |
0.245 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[NAG]D:501 |
9 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
8 |
4 |
6782 |
87.0 |
2.5 |
0.386 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[NAG]B:501 |
9 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
6745 |
84.4 |
2.2 |
0.396 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
D |
9 |
4 |
6782 |
◊ |
D |
-x,y,-z+1 |
2_556 |
8 |
3 |
6782 |
82.3 |
-1.7 |
0.371 |
0 |
0 |
0 |
0.024 |
| 18 |
22 |
|
[FUC]C:402 |
7 |
1 |
281 |
cf |
[NAG]C:401 |
x,y,z |
1_555 |
8 |
1 |
360 |
75.1 |
3.0 |
0.152 |
0 |
0 |
0 |
0.000 |
23 |
|
[FUC]A:402 |
7 |
1 |
280 |
cf |
[NAG]A:401 |
x,y,z |
1_555 |
7 |
1 |
359 |
69.6 |
2.4 |
0.136 |
0 |
0 |
0 |
0.000 |
| Average: |
72.4 |
2.7 |
0.144 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
B |
9 |
3 |
6745 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
9 |
6 |
13042 |
74.8 |
-0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
D |
9 |
3 |
6782 |
◊ |
C |
-x,y,-z+1 |
2_556 |
6 |
2 |
13226 |
73.0 |
1.1 |
0.889 |
2 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[NAG]D:503 |
9 |
1 |
358 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
7 |
1 |
362 |
69.6 |
1.4 |
0.065 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[NAG]A:403 |
9 |
1 |
360 |
cf |
[NAG]A:401 |
x,y,z |
1_555 |
7 |
1 |
359 |
69.5 |
1.0 |
0.059 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[NAG]C:403 |
9 |
1 |
361 |
cf |
[NAG]C:401 |
x,y,z |
1_555 |
7 |
1 |
360 |
68.5 |
1.0 |
0.051 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[FUC]D:502 |
6 |
1 |
278 |
f |
[NAG]D:503 |
x,y,z |
1_555 |
8 |
1 |
358 |
68.5 |
2.9 |
0.185 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
D |
8 |
3 |
6782 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
4 |
3 |
13042 |
68.5 |
-0.7 |
0.490 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[FUC]B:502 |
7 |
1 |
280 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
6 |
1 |
360 |
67.9 |
2.2 |
0.158 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[NAG]B:503 |
8 |
1 |
355 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
6 |
1 |
360 |
67.4 |
1.4 |
0.089 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[MAN]C:405 |
5 |
1 |
294 |
◊ |
C |
-x,y,-z+1 |
2_556 |
7 |
4 |
13226 |
66.3 |
1.2 |
0.399 |
1 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[FUC]A:402 |
8 |
1 |
280 |
f |
[NAG]A:403 |
x,y,z |
1_555 |
8 |
1 |
360 |
64.6 |
3.3 |
0.153 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[FUC]D:502 |
6 |
1 |
278 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
7 |
1 |
362 |
64.1 |
2.3 |
0.139 |
1 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[MAN]A:405 |
8 |
1 |
293 |
cf |
[BMA]A:404 |
x,y,z |
1_555 |
7 |
1 |
291 |
63.2 |
2.7 |
0.178 |
0 |
0 |
0 |
0.000 |
37 |
|
[MAN]C:405 |
8 |
1 |
294 |
cf |
[BMA]C:404 |
x,y,z |
1_555 |
5 |
1 |
293 |
60.5 |
2.6 |
0.189 |
0 |
0 |
0 |
0.000 |
| Average: |
61.8 |
2.7 |
0.183 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[FUC]B:502 |
7 |
1 |
280 |
f |
[NAG]B:503 |
x,y,z |
1_555 |
9 |
1 |
355 |
62.9 |
3.3 |
0.147 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[FUC]C:402 |
7 |
1 |
281 |
f |
[NAG]C:403 |
x,y,z |
1_555 |
9 |
1 |
361 |
62.5 |
3.1 |
0.154 |
0 |
0 |
0 |
0.000 |
| 34 |
40 |
|
[MAN]C:406 |
5 |
1 |
296 |
◊ |
C |
-x,y,-z+1 |
2_556 |
5 |
1 |
13226 |
57.9 |
0.1 |
0.231 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
[BMA]B:504 |
6 |
1 |
292 |
cf |
[NAG]B:503 |
x,y,z |
1_555 |
5 |
1 |
355 |
57.8 |
1.2 |
0.121 |
0 |
0 |
0 |
0.000 |
| 36 |
42 |
|
[BMA]C:404 |
6 |
1 |
293 |
cf |
[NAG]C:403 |
x,y,z |
1_555 |
4 |
1 |
361 |
57.1 |
1.2 |
0.140 |
0 |
0 |
0 |
0.000 |
43 |
|
[BMA]A:404 |
6 |
1 |
291 |
cf |
[NAG]A:403 |
x,y,z |
1_555 |
4 |
1 |
360 |
55.5 |
0.9 |
0.113 |
0 |
0 |
0 |
0.000 |
| Average: |
56.3 |
1.1 |
0.126 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
[MAN]D:504 |
6 |
1 |
287 |
cf |
[NAG]D:503 |
x,y,z |
1_555 |
5 |
1 |
358 |
56.6 |
1.0 |
0.146 |
0 |
0 |
0 |
0.000 |
| 38 |
45 |
|
[MAN]C:406 |
5 |
1 |
296 |
cf |
[BMA]C:404 |
x,y,z |
1_555 |
3 |
1 |
293 |
53.6 |
2.3 |
0.337 |
0 |
0 |
0 |
0.000 |
| 39 |
46 |
|
A |
7 |
2 |
13042 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
3 |
6782 |
52.0 |
-0.3 |
0.608 |
0 |
0 |
0 |
0.000 |
| 40 |
47 |
|
[BMA]C:404 |
5 |
1 |
293 |
◊ |
C |
-x,y,-z+1 |
2_556 |
6 |
4 |
13226 |
50.3 |
-0.0 |
0.241 |
0 |
0 |
0 |
0.000 |
| 41 |
48 |
|
[BMA]A:404 |
4 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
13042 |
43.2 |
1.2 |
0.435 |
1 |
0 |
0 |
0.000 |
49 |
|
[BMA]C:404 |
4 |
1 |
293 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
13226 |
41.2 |
1.0 |
0.427 |
1 |
0 |
0 |
0.000 |
| Average: |
42.2 |
1.1 |
0.431 |
1 |
0 |
0 |
0.000 |
| 42 |
50 |
|
[FUC]B:502 |
3 |
1 |
280 |
◊ |
[FUC]D:502 |
x,y-1,z |
1_545 |
5 |
1 |
278 |
40.2 |
1.6 |
0.269 |
0 |
0 |
0 |
0.000 |
| 43 |
51 |
|
[FUC]B:502 |
5 |
1 |
280 |
◊ |
[NAG]D:501 |
x,y-1,z |
1_545 |
4 |
1 |
362 |
34.0 |
1.0 |
0.180 |
0 |
0 |
0 |
0.000 |
| 44 |
52 |
|
C |
7 |
2 |
13226 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
6745 |
32.4 |
-0.5 |
0.486 |
0 |
0 |
0 |
0.000 |
| 45 |
53 |
|
D |
2 |
1 |
6782 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13042 |
31.7 |
-0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
| 46 |
54 |
|
A |
2 |
1 |
13042 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
6782 |
26.4 |
-0.5 |
0.309 |
0 |
0 |
0 |
0.000 |
| 47 |
55 |
|
[MAN]C:406 |
3 |
1 |
296 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
6745 |
26.3 |
0.4 |
0.408 |
0 |
0 |
0 |
0.000 |
| 48 |
56 |
|
[MAN]D:504 |
2 |
1 |
287 |
f |
[FUC]D:502 |
x,y,z |
1_555 |
2 |
1 |
278 |
22.4 |
0.8 |
0.272 |
0 |
0 |
0 |
0.000 |
| 49 |
57 |
|
B |
4 |
4 |
6745 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
3 |
13226 |
21.9 |
-0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
| 50 |
58 |
|
[MAN]A:405 |
4 |
1 |
293 |
f |
[NAG]A:403 |
x,y,z |
1_555 |
3 |
1 |
360 |
20.3 |
0.6 |
0.182 |
0 |
0 |
0 |
0.000 |
59 |
|
[MAN]C:405 |
5 |
1 |
294 |
f |
[NAG]C:403 |
x,y,z |
1_555 |
3 |
1 |
361 |
20.0 |
0.6 |
0.159 |
0 |
0 |
0 |
0.000 |
| Average: |
20.1 |
0.6 |
0.171 |
0 |
0 |
0 |
0.000 |
| 51 |
60 |
|
[MAN]C:406 |
2 |
1 |
296 |
f |
[NAG]C:403 |
x,y,z |
1_555 |
3 |
1 |
361 |
19.2 |
0.7 |
0.250 |
0 |
0 |
0 |
0.000 |
| 52 |
61 |
|
[NAG]B:501 |
1 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
13042 |
12.6 |
0.3 |
0.536 |
0 |
0 |
0 |
0.000 |
| 53 |
62 |
|
[NAG]B:501 |
3 |
1 |
360 |
◊ |
[FUC]D:502 |
x,y-1,z |
1_545 |
1 |
1 |
278 |
12.6 |
0.4 |
0.213 |
0 |
0 |
0 |
0.000 |
| 54 |
63 |
|
A |
2 |
1 |
13042 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
2 |
6782 |
12.5 |
0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
| 55 |
64 |
|
[NAG]B:503 |
3 |
1 |
355 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
6745 |
11.1 |
-0.0 |
0.207 |
0 |
0 |
0 |
0.000 |
| 56 |
65 |
|
[MAN]C:406 |
1 |
1 |
296 |
f |
[FUC]C:402 |
x,y,z |
1_555 |
3 |
1 |
281 |
9.8 |
0.4 |
0.237 |
0 |
0 |
0 |
0.000 |
| 57 |
66 |
|
[NAG]D:503 |
3 |
1 |
358 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
6782 |
9.7 |
0.1 |
0.250 |
0 |
0 |
0 |
0.000 |
| 58 |
67 |
|
[BMA]C:404 |
1 |
1 |
293 |
f |
[FUC]C:402 |
x,y,z |
1_555 |
2 |
1 |
281 |
6.9 |
0.5 |
0.276 |
0 |
0 |
0 |
0.000 |
| 59 |
68 |
|
[FUC]A:402 |
1 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13042 |
6.2 |
0.3 |
0.399 |
0 |
0 |
0 |
0.000 |
| 60 |
69 |
|
[NAG]B:501 |
1 |
1 |
360 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
2 |
6782 |
6.0 |
0.1 |
0.422 |
0 |
0 |
0 |
0.000 |
| 61 |
70 |
|
[FUC]C:402 |
1 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
13226 |
5.7 |
0.3 |
0.397 |
0 |
0 |
0 |
0.000 |
| 62 |
71 |
|
[FUC]B:502 |
1 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
6745 |
5.6 |
0.2 |
0.395 |
0 |
0 |
0 |
0.000 |
| 63 |
72 |
|
[BMA]A:404 |
1 |
1 |
291 |
f |
[FUC]A:402 |
x,y,z |
1_555 |
2 |
1 |
280 |
4.7 |
0.3 |
0.276 |
0 |
0 |
0 |
0.000 |
| 64 |
73 |
|
C |
2 |
1 |
13226 |
◊ |
[MAN]D:504 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
287 |
2.7 |
0.0 |
0.345 |
0 |
0 |
0 |
0.000 |
| 65 |
74 |
|
[NAG]C:403 |
1 |
1 |
361 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
13042 |
0.5 |
0.0 |
0.308 |
0 |
0 |
0 |
0.000 |
| 66 |
75 |
|
[FUC]D:502 |
1 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
6782 |
0.5 |
0.0 |
0.367 |
0 |
0 |
0 |
0.000 |
|