| ## |
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 |
|
A |
159 |
47 |
14009 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
159 |
45 |
13962 |
1523.4 |
-16.0 |
0.037 |
23 |
1 |
0 |
0.777 |
2 |
|
B |
165 |
49 |
13962 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
162 |
46 |
14009 |
1522.4 |
-16.0 |
0.043 |
23 |
1 |
0 |
0.777 |
| Average: |
1522.9 |
-16.0 |
0.040 |
23 |
1 |
0 |
0.777 |
| 2 |
3 |
|
B |
44 |
12 |
13962 |
◊ |
A |
x,y,z |
1_555 |
47 |
12 |
14009 |
404.3 |
0.2 |
0.663 |
5 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
34 |
15 |
14009 |
◊ |
A |
x,-y,-z |
4_555 |
34 |
15 |
14009 |
325.8 |
0.8 |
0.774 |
4 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[G39]B:503 |
20 |
1 |
470 |
f |
B |
x,y,z |
1_555 |
47 |
18 |
13962 |
324.8 |
-1.3 |
0.655 |
8 |
0 |
0 |
0.144 |
6 |
|
[G39]A:503 |
20 |
1 |
470 |
f |
A |
x,y,z |
1_555 |
47 |
18 |
14009 |
321.9 |
-1.3 |
0.655 |
8 |
0 |
0 |
0.144 |
| Average: |
323.4 |
-1.3 |
0.655 |
8 |
0 |
0 |
0.144 |
| 5 |
7 |
|
[MAN]B:507 |
10 |
1 |
293 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
25 |
11 |
14009 |
160.5 |
2.9 |
0.422 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[EDO]B:512 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
13962 |
119.0 |
3.1 |
0.426 |
0 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:510 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
14009 |
117.8 |
3.0 |
0.417 |
0 |
0 |
0 |
0.000 |
| Average: |
118.4 |
3.0 |
0.421 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[NAG]B:504 |
9 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
12 |
4 |
13962 |
114.5 |
3.3 |
0.483 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[EDO]B:513 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13962 |
98.0 |
2.8 |
0.356 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[NAG]A:506 |
7 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
14 |
5 |
14009 |
97.6 |
2.5 |
0.526 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[EDO]A:509 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
14009 |
88.8 |
2.2 |
0.251 |
3 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[NAG]B:508 |
8 |
1 |
355 |
cf |
B |
x,y,z |
1_555 |
8 |
3 |
13962 |
86.3 |
2.4 |
0.417 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]A:504 |
9 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
14009 |
84.4 |
2.2 |
0.375 |
0 |
0 |
0 |
0.000 |
| Average: |
85.4 |
2.3 |
0.396 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[NAG]B:509 |
9 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
12 |
4 |
13962 |
84.0 |
2.7 |
0.398 |
0 |
0 |
0 |
0.000 |
17 |
|
[NAG]A:508 |
9 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
10 |
4 |
14009 |
83.8 |
3.1 |
0.369 |
0 |
0 |
0 |
0.000 |
| Average: |
83.9 |
2.9 |
0.383 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[EDO]A:512 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
14009 |
83.6 |
1.6 |
0.659 |
2 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[EDO]A:514 |
4 |
1 |
184 |
f |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
13 |
7 |
13962 |
82.7 |
2.4 |
0.252 |
2 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[EDO]A:511 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
14009 |
82.1 |
2.0 |
0.415 |
1 |
0 |
0 |
0.000 |
| 16 |
21 |
|
B |
10 |
5 |
13962 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
10 |
5 |
14009 |
81.2 |
0.3 |
0.687 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[EDO]B:511 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
13962 |
79.6 |
1.8 |
0.231 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[EDO]B:511 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
14009 |
77.0 |
1.9 |
0.281 |
2 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[NAG]A:507 |
9 |
1 |
365 |
cf |
[NAG]A:506 |
x,y,z |
1_555 |
6 |
1 |
363 |
75.1 |
1.7 |
0.110 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[EDO]A:511 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
13962 |
74.9 |
1.8 |
0.281 |
2 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[NAG]A:505 |
10 |
1 |
366 |
cf |
[NAG]A:504 |
x,y,z |
1_555 |
6 |
1 |
361 |
69.7 |
1.5 |
0.084 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
B |
16 |
6 |
13962 |
◊ |
[EDO]A:513 |
x-1/2,-y-1/2,-z |
8_445 |
3 |
1 |
184 |
68.4 |
2.2 |
0.530 |
1 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[NAG]B:505 |
11 |
1 |
362 |
cf |
[NAG]B:504 |
x,y,z |
1_555 |
7 |
1 |
364 |
66.6 |
1.3 |
0.073 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[EDO]A:515 |
4 |
1 |
184 |
◊ |
[EDO]A:515 |
x,-y,-z |
4_555 |
4 |
1 |
184 |
64.7 |
2.9 |
0.125 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[BMA]B:506 |
7 |
1 |
289 |
cf |
[NAG]B:505 |
x,y,z |
1_555 |
6 |
1 |
362 |
61.0 |
0.9 |
0.095 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[MAN]B:507 |
6 |
1 |
293 |
cf |
[BMA]B:506 |
x,y,z |
1_555 |
6 |
1 |
289 |
56.9 |
2.4 |
0.226 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[EDO]A:514 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
14009 |
56.8 |
1.6 |
0.247 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
B |
9 |
3 |
13962 |
◊ |
[EDO]A:509 |
x-1/2,-y-1/2,-z |
8_445 |
3 |
1 |
182 |
53.0 |
1.6 |
0.248 |
0 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[EDO]A:515 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14009 |
52.7 |
1.1 |
0.227 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[EDO]A:515 |
4 |
1 |
184 |
◊ |
A |
x,-y,-z |
4_555 |
8 |
3 |
14009 |
52.1 |
1.1 |
0.219 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[EDO]A:513 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14009 |
46.5 |
1.1 |
0.824 |
1 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[NAG]A:507 |
7 |
1 |
365 |
◊ |
A |
x,-y,-z |
4_555 |
3 |
1 |
14009 |
43.9 |
1.1 |
0.295 |
1 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[CA]A:501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
14009 |
43.8 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.382 |
39 |
|
[CA]B:501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
7 |
13962 |
43.6 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.382 |
| Average: |
43.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.382 |
| 34 |
40 |
|
[CA]A:502 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
14009 |
43.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.370 |
41 |
|
[CA]B:502 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
13962 |
43.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.370 |
| Average: |
43.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.370 |
| 35 |
42 |
|
[EDO]A:512 |
3 |
1 |
187 |
f |
A |
x,-y,-z |
4_555 |
5 |
2 |
14009 |
41.2 |
0.7 |
0.695 |
0 |
0 |
0 |
0.000 |
| 36 |
43 |
|
[BMA]B:506 |
5 |
1 |
289 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
8 |
5 |
14009 |
40.9 |
-0.1 |
0.230 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
[NAG]B:505 |
2 |
1 |
362 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
5 |
2 |
14009 |
40.0 |
1.1 |
0.632 |
0 |
0 |
0 |
0.000 |
| 38 |
45 |
|
[EDO]A:512 |
3 |
1 |
187 |
◊ |
[EDO]A:512 |
x,-y,-z |
4_555 |
3 |
1 |
187 |
39.3 |
2.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 39 |
46 |
|
[EDO]B:513 |
2 |
1 |
183 |
f |
[G39]B:503 |
x,y,z |
1_555 |
2 |
1 |
470 |
33.0 |
0.5 |
0.444 |
0 |
0 |
0 |
0.000 |
| 40 |
47 |
|
[EDO]A:510 |
2 |
1 |
184 |
f |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
2 |
1 |
13962 |
25.9 |
1.1 |
0.985 |
1 |
0 |
0 |
0.000 |
48 |
|
[EDO]B:512 |
2 |
1 |
185 |
f |
A |
x-1/2,-y-1/2,-z |
8_445 |
2 |
1 |
14009 |
25.3 |
1.1 |
0.984 |
1 |
0 |
0 |
0.000 |
| Average: |
25.6 |
1.1 |
0.985 |
1 |
0 |
0 |
0.000 |
| 41 |
49 |
|
A |
3 |
1 |
14009 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
3 |
1 |
14009 |
16.9 |
-0.5 |
0.283 |
0 |
0 |
0 |
0.008 |
50 |
|
B |
3 |
1 |
13962 |
◊ |
B |
-x-1,y,-z+1/2 |
3_455 |
3 |
1 |
13962 |
15.8 |
-0.5 |
0.290 |
0 |
0 |
0 |
0.008 |
| Average: |
16.3 |
-0.5 |
0.286 |
0 |
0 |
0 |
0.008 |
| 42 |
51 |
|
[CA]B:510 |
1 |
1 |
85 |
x |
B |
x,y,z |
1_555 |
4 |
2 |
13962 |
13.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.057 |
52 |
|
A |
4 |
2 |
14009 |
x |
[CA]B:510 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
85 |
13.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
13.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.057 |
| 43 |
53 |
|
[NAG]A:506 |
1 |
1 |
363 |
◊ |
A |
x,-y,-z |
4_555 |
1 |
1 |
14009 |
7.0 |
-0.1 |
0.341 |
0 |
0 |
0 |
0.000 |
| 44 |
54 |
|
[NAG]B:504 |
1 |
1 |
364 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
2 |
1 |
14009 |
5.3 |
0.1 |
0.317 |
0 |
0 |
0 |
0.000 |
| 45 |
55 |
|
[NAG]A:508 |
1 |
1 |
364 |
f |
[NAG]A:504 |
x,y,z |
1_555 |
3 |
1 |
361 |
5.2 |
0.1 |
0.210 |
0 |
0 |
0 |
0.000 |
| 46 |
56 |
|
[NAG]B:509 |
1 |
1 |
365 |
f |
[NAG]B:508 |
x,y,z |
1_555 |
4 |
1 |
355 |
5.1 |
0.1 |
0.160 |
0 |
0 |
0 |
0.000 |
| 47 |
57 |
|
[NAG]B:504 |
1 |
1 |
364 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
14009 |
3.5 |
0.1 |
0.331 |
0 |
0 |
0 |
0.000 |
| 48 |
58 |
|
[MAN]B:507 |
1 |
1 |
293 |
f |
[NAG]B:505 |
x,y,z |
1_555 |
1 |
1 |
362 |
1.3 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|