| ## |
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 |
60 |
19 |
28532 |
◊ |
A |
x,y,z-1 |
1_554 |
56 |
18 |
28330 |
551.6 |
2.8 |
0.850 |
9 |
3 |
0 |
0.000 |
| 2 |
2 |
|
A |
57 |
18 |
28330 |
◊ |
B |
x-1,y,z |
1_455 |
65 |
19 |
28532 |
536.1 |
1.1 |
0.770 |
8 |
5 |
0 |
0.000 |
| 3 |
3 |
|
B |
57 |
16 |
28532 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
48 |
17 |
28330 |
463.8 |
-3.3 |
0.356 |
6 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
38 |
11 |
28532 |
◊ |
A |
x,y,z |
1_555 |
35 |
10 |
28330 |
385.5 |
-7.5 |
0.023 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[NAG]A:1010 |
14 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
28 |
12 |
28330 |
214.5 |
5.9 |
0.530 |
1 |
0 |
0 |
0.000 |
6 |
|
[NAG]B:1009 |
14 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
28 |
12 |
28532 |
214.2 |
6.0 |
0.534 |
1 |
0 |
0 |
0.000 |
| Average: |
214.4 |
6.0 |
0.532 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[NAG]A:1005 |
13 |
1 |
366 |
cf |
A |
x,y,z |
1_555 |
26 |
8 |
28330 |
164.0 |
4.4 |
0.404 |
1 |
0 |
0 |
0.000 |
8 |
|
[NAG]B:1005 |
12 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
24 |
8 |
28532 |
162.7 |
4.2 |
0.426 |
1 |
0 |
0 |
0.000 |
| Average: |
163.3 |
4.3 |
0.415 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[NAG]A:1006 |
11 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
28330 |
137.5 |
3.0 |
0.377 |
1 |
0 |
0 |
0.000 |
10 |
|
[NAG]B:1006 |
11 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
28532 |
132.8 |
2.7 |
0.322 |
0 |
0 |
0 |
0.000 |
| Average: |
135.1 |
2.9 |
0.349 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[NAG]B:1008 |
10 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
20 |
5 |
28532 |
133.0 |
3.3 |
0.439 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[NAG]A:1007 |
11 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
20 |
5 |
28330 |
130.6 |
3.3 |
0.394 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
A |
23 |
7 |
28330 |
x |
A |
x-1,y,z |
1_455 |
16 |
6 |
28330 |
124.7 |
-1.7 |
0.347 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[NAG]A:1008 |
9 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
16 |
4 |
28330 |
110.1 |
4.0 |
0.555 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[PO4]A:1001 |
5 |
1 |
194 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
28330 |
100.5 |
-7.4 |
0.491 |
4 |
0 |
0 |
0.018 |
| 13 |
16 |
|
[PO4]B:1001 |
5 |
1 |
194 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
28532 |
99.0 |
-6.5 |
0.694 |
4 |
0 |
0 |
0.017 |
| 14 |
17 |
|
[NAG]A:1011 |
7 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
28330 |
92.4 |
2.2 |
0.431 |
1 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[NAG]B:1010 |
7 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
28532 |
91.9 |
2.2 |
0.462 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[NAG]A:1012 |
11 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
10 |
3 |
28330 |
89.3 |
2.3 |
0.265 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[NAG]B:1012 |
11 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
11 |
4 |
28532 |
88.8 |
2.6 |
0.291 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[NAG]A:1006 |
9 |
1 |
365 |
cf |
[NAG]A:1005 |
x,y,z |
1_555 |
7 |
1 |
366 |
77.0 |
2.1 |
0.101 |
1 |
0 |
0 |
0.000 |
22 |
|
[NAG]B:1006 |
10 |
1 |
365 |
cf |
[NAG]B:1005 |
x,y,z |
1_555 |
7 |
1 |
365 |
76.0 |
2.0 |
0.087 |
1 |
0 |
0 |
0.000 |
| Average: |
76.5 |
2.0 |
0.094 |
1 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[BMA]B:1007 |
8 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
28532 |
75.8 |
1.1 |
0.252 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[NAG]A:1009 |
8 |
1 |
363 |
cf |
[NAG]A:1008 |
x,y,z |
1_555 |
6 |
1 |
365 |
73.7 |
1.8 |
0.115 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[NAG]A:1011 |
9 |
1 |
365 |
cf |
[NAG]A:1010 |
x,y,z |
1_555 |
6 |
1 |
363 |
70.9 |
1.8 |
0.096 |
0 |
0 |
0 |
0.000 |
26 |
|
[NAG]B:1010 |
9 |
1 |
362 |
cf |
[NAG]B:1009 |
x,y,z |
1_555 |
7 |
1 |
364 |
69.2 |
1.6 |
0.081 |
0 |
0 |
0 |
0.000 |
| Average: |
70.1 |
1.7 |
0.088 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[BMA]B:1007 |
6 |
1 |
294 |
cf |
[NAG]B:1006 |
x,y,z |
1_555 |
4 |
1 |
365 |
59.5 |
1.2 |
0.141 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[BMA]B:1011 |
6 |
1 |
291 |
cf |
[NAG]B:1010 |
x,y,z |
1_555 |
5 |
1 |
362 |
58.0 |
0.9 |
0.106 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
B |
6 |
2 |
28532 |
◊ |
[NAG]A:1009 |
-x,y-1/2,-z |
2_545 |
9 |
1 |
363 |
49.3 |
1.5 |
0.277 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[CA]B:1004 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
28532 |
43.7 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.026 |
31 |
|
[CA]A:1004 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
28330 |
43.7 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
43.7 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.026 |
| 26 |
32 |
|
[ZN]A:1003 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
28330 |
36.2 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.053 |
33 |
|
[ZN]B:1003 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
28532 |
36.2 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.053 |
| Average: |
36.2 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.053 |
| 27 |
34 |
|
[BMA]B:1011 |
2 |
1 |
291 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
6 |
3 |
28330 |
29.1 |
-0.4 |
0.307 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[ZN]A:1003 |
1 |
1 |
98 |
cf |
[PO4]A:1001 |
x,y,z |
1_555 |
3 |
1 |
194 |
29.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.025 |
| 29 |
36 |
|
[ZN]B:1003 |
1 |
1 |
98 |
cf |
[PO4]B:1001 |
x,y,z |
1_555 |
4 |
1 |
194 |
28.4 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| 30 |
37 |
|
B |
3 |
1 |
28532 |
◊ |
[NAG]A:1008 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
365 |
26.5 |
0.8 |
0.471 |
0 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[ZN]A:1002 |
1 |
1 |
98 |
f |
[PO4]A:1001 |
x,y,z |
1_555 |
4 |
1 |
194 |
20.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.019 |
| 32 |
39 |
|
[ZN]B:1002 |
1 |
1 |
98 |
f |
[PO4]B:1001 |
x,y,z |
1_555 |
3 |
1 |
194 |
19.7 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.019 |
| 33 |
40 |
|
[ZN]B:1003 |
1 |
1 |
98 |
f |
[ZN]B:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.015 |
| 34 |
41 |
|
[ZN]A:1003 |
1 |
1 |
98 |
f |
[ZN]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.013 |
| 35 |
42 |
|
B |
1 |
1 |
28532 |
x |
B |
x-1,y,z |
1_455 |
2 |
1 |
28532 |
7.8 |
0.1 |
0.762 |
0 |
0 |
0 |
0.000 |
| 36 |
43 |
|
[NAG]A:1009 |
1 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
28330 |
0.7 |
-0.0 |
0.271 |
0 |
0 |
0 |
0.000 |
|