| ## |
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 |
225 |
56 |
13249 |
◊ |
A |
x,y,z |
1_555 |
230 |
55 |
13298 |
2184.9 |
-21.3 |
0.215 |
36 |
27 |
0 |
0.111 |
| 2 |
2 |
|
A |
48 |
14 |
13298 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
51 |
17 |
13249 |
445.4 |
1.2 |
0.850 |
9 |
1 |
0 |
0.000 |
3 |
|
A |
47 |
16 |
13298 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
48 |
14 |
13249 |
432.7 |
0.4 |
0.786 |
8 |
1 |
0 |
0.000 |
| Average: |
439.0 |
0.8 |
0.818 |
9 |
1 |
0 |
0.000 |
| 3 |
4 |
|
A |
23 |
10 |
13298 |
x |
A |
x-1,y,z |
1_455 |
31 |
10 |
13298 |
224.5 |
-2.1 |
0.443 |
2 |
2 |
0 |
0.000 |
| 4 |
5 |
|
B |
19 |
7 |
13249 |
◊ |
A |
x,y,z-1 |
1_554 |
20 |
7 |
13298 |
200.6 |
-3.2 |
0.221 |
4 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[5XA]A:405 |
9 |
1 |
300 |
f |
A |
x,y,z |
1_555 |
34 |
16 |
13298 |
182.5 |
2.5 |
0.263 |
4 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[5XA]B:405 |
9 |
1 |
297 |
f |
B |
x,y,z |
1_555 |
33 |
16 |
13249 |
181.3 |
2.2 |
0.221 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
20 |
8 |
13249 |
x |
B |
x-1,y,z |
1_455 |
20 |
9 |
13249 |
171.6 |
-2.8 |
0.293 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[GOL]A:406 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13298 |
131.3 |
-0.6 |
0.526 |
3 |
0 |
0 |
0.005 |
| 9 |
10 |
|
[GOL]B:409 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
13249 |
116.3 |
-1.9 |
0.348 |
0 |
0 |
0 |
0.005 |
| 10 |
11 |
|
[K]B:404 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
13249 |
111.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.580 |
12 |
|
[K]A:404 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
13298 |
111.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.580 |
| Average: |
111.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.580 |
| 11 |
13 |
|
[GOL]B:406 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13298 |
88.3 |
-1.4 |
0.385 |
0 |
0 |
0 |
0.004 |
| 12 |
14 |
|
[GOL]A:409 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
13298 |
74.3 |
-0.4 |
0.554 |
2 |
0 |
0 |
0.003 |
| 13 |
15 |
|
[GOL]B:406 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13249 |
73.0 |
-0.8 |
0.458 |
0 |
0 |
0 |
0.002 |
| 14 |
16 |
|
[NO3]A:408 |
4 |
1 |
162 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13298 |
72.5 |
1.7 |
0.555 |
3 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[NO3]B:408 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
13249 |
70.1 |
1.7 |
0.565 |
3 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[NO3]B:407 |
4 |
1 |
161 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13249 |
64.9 |
0.7 |
0.472 |
1 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[NO3]A:407 |
4 |
1 |
160 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
13298 |
64.0 |
0.7 |
0.471 |
1 |
0 |
0 |
0.000 |
| 18 |
20 |
|
A |
11 |
3 |
13298 |
f |
[NO3]B:407 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
161 |
54.3 |
0.2 |
0.371 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[NO3]A:407 |
4 |
1 |
160 |
f |
B |
-x,y-1/2,-z+1 |
2_546 |
11 |
3 |
13249 |
53.5 |
0.2 |
0.377 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[GOL]A:409 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
13249 |
46.0 |
-0.0 |
0.539 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
A |
9 |
4 |
13298 |
◊ |
[NO3]B:408 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
161 |
41.7 |
0.2 |
0.721 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[NO3]A:408 |
4 |
1 |
162 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
8 |
4 |
13249 |
40.4 |
0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
B |
-x,y-1/2,-z+1 |
2_546 |
4 |
3 |
13249 |
38.7 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.088 |
26 |
|
A |
5 |
3 |
13298 |
f |
[ZN]B:402 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
37.0 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.088 |
| Average: |
37.9 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.088 |
| 24 |
27 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
7 |
13249 |
35.8 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.140 |
28 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
13298 |
35.5 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.140 |
| Average: |
35.7 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.140 |
| 25 |
29 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13298 |
31.5 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[ZN]B:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
13249 |
30.4 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
31.0 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[5XA]A:405 |
4 |
1 |
300 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.068 |
32 |
|
[5XA]B:405 |
4 |
1 |
297 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.068 |
| Average: |
30.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.068 |
| 27 |
33 |
|
[NO3]B:408 |
3 |
1 |
161 |
◊ |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[NO3]A:408 |
3 |
1 |
162 |
◊ |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
21.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[NO3]A:408 |
1 |
1 |
162 |
◊ |
[NO3]A:407 |
x,y,z |
1_555 |
1 |
1 |
160 |
17.4 |
0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
36 |
|
[NO3]B:408 |
1 |
1 |
161 |
◊ |
[NO3]B:407 |
x,y,z |
1_555 |
1 |
1 |
161 |
16.0 |
0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
| Average: |
16.7 |
0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[5XA]B:405 |
1 |
1 |
297 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13298 |
6.2 |
-0.0 |
0.795 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[5XA]A:405 |
1 |
1 |
300 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13249 |
0.5 |
0.0 |
0.822 |
0 |
0 |
0 |
0.000 |
|