| ## |
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 |
127 |
37 |
12407 |
◊ |
A |
x,y,z |
1_555 |
127 |
36 |
12466 |
1259.7 |
-15.1 |
0.113 |
14 |
5 |
0 |
0.083 |
| 2 |
2 |
|
B |
81 |
25 |
12407 |
◊ |
B |
-x+1,-y+1,z |
4_665 |
81 |
25 |
12407 |
790.5 |
-7.1 |
0.303 |
2 |
2 |
0 |
0.000 |
3 |
|
A |
79 |
24 |
12466 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
79 |
24 |
12466 |
724.5 |
-8.9 |
0.194 |
0 |
0 |
0 |
0.000 |
| Average: |
757.5 |
-8.0 |
0.248 |
1 |
1 |
0 |
0.000 |
| 3 |
4 |
|
A |
72 |
21 |
12466 |
◊ |
B |
x-y,x,z+1/3 |
6_555 |
71 |
21 |
12407 |
609.7 |
5.5 |
0.934 |
2 |
2 |
0 |
0.000 |
| 4 |
5 |
|
A |
52 |
20 |
12466 |
◊ |
A |
x,x-y+1,-z+1/3 |
12_565 |
51 |
20 |
12466 |
472.4 |
-6.4 |
0.209 |
0 |
0 |
0 |
0.025 |
6 |
|
B |
42 |
17 |
12407 |
◊ |
B |
-x+y+1,y,-z |
11_655 |
41 |
17 |
12407 |
349.4 |
-1.8 |
0.537 |
0 |
0 |
0 |
0.025 |
| Average: |
410.9 |
-4.1 |
0.373 |
0 |
0 |
0 |
0.025 |
| 5 |
7 |
|
B |
45 |
15 |
12407 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
38 |
12 |
12466 |
391.1 |
5.5 |
0.935 |
6 |
3 |
0 |
0.000 |
| 6 |
8 |
|
B |
33 |
12 |
12407 |
◊ |
B |
-x+y,y,-z |
11_555 |
33 |
12 |
12407 |
342.3 |
-7.4 |
0.057 |
0 |
0 |
0 |
0.000 |
9 |
|
A |
33 |
11 |
12466 |
◊ |
A |
x,x-y,-z+1/3 |
12_555 |
34 |
11 |
12466 |
337.9 |
-6.6 |
0.089 |
0 |
0 |
0 |
0.000 |
| Average: |
340.1 |
-7.0 |
0.073 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[MCO]B:2410 |
11 |
1 |
368 |
f |
B |
x,y,z |
1_555 |
32 |
13 |
12407 |
219.3 |
0.7 |
0.111 |
5 |
0 |
0 |
0.012 |
11 |
|
[MCO]A:1410 |
11 |
1 |
367 |
f |
A |
x,y,z |
1_555 |
32 |
13 |
12466 |
213.3 |
0.8 |
0.117 |
5 |
0 |
0 |
0.012 |
| Average: |
216.3 |
0.8 |
0.114 |
5 |
0 |
0 |
0.012 |
| 8 |
12 |
|
[GOL]A:1 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
12466 |
126.9 |
-1.0 |
0.424 |
0 |
0 |
0 |
0.007 |
| 9 |
13 |
|
[SO4]A:5 |
5 |
1 |
186 |
f |
B |
x-y,x,z+1/3 |
6_555 |
21 |
8 |
12407 |
101.0 |
-13.1 |
0.860 |
3 |
0 |
0 |
0.112 |
| 10 |
14 |
|
[SO4]A:7 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
12466 |
100.2 |
-12.9 |
0.862 |
3 |
0 |
0 |
0.110 |
| 11 |
15 |
|
[SO4]B:3 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
12407 |
82.8 |
-11.6 |
0.863 |
5 |
0 |
0 |
0.107 |
| 12 |
16 |
|
[SO4]A:2 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12466 |
81.2 |
-11.2 |
0.811 |
4 |
0 |
0 |
0.101 |
| 13 |
17 |
|
[SO4]A:6 |
5 |
1 |
185 |
◊ |
B |
x-y,x,z+1/3 |
6_555 |
8 |
3 |
12407 |
70.8 |
-6.7 |
0.966 |
2 |
0 |
0 |
0.028 |
| 14 |
18 |
|
B |
10 |
4 |
12407 |
◊ |
A |
x,x-y,-z+1/3 |
12_555 |
9 |
4 |
12466 |
66.4 |
-0.9 |
0.418 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
3 |
2 |
12407 |
◊ |
A |
-x+y,y,-z |
11_555 |
8 |
3 |
12466 |
51.5 |
-0.7 |
0.313 |
0 |
0 |
0 |
0.000 |
| Average: |
58.9 |
-0.8 |
0.366 |
0 |
0 |
0 |
0.000 |
| 15 |
20 |
|
A |
7 |
3 |
12466 |
◊ |
[SO4]B:8 |
x-y,x,z+1/3 |
6_555 |
5 |
1 |
185 |
61.7 |
-5.6 |
0.965 |
2 |
0 |
0 |
0.024 |
| 16 |
21 |
|
[SO4]B:9 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12407 |
56.4 |
-6.3 |
0.908 |
2 |
0 |
0 |
0.056 |
| 17 |
22 |
|
[SO4]A:7 |
4 |
1 |
186 |
◊ |
B |
x-y,x,z+1/3 |
6_555 |
4 |
2 |
12407 |
54.7 |
-5.2 |
0.963 |
3 |
0 |
0 |
0.024 |
| 18 |
23 |
|
[SO4]A:5 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12466 |
52.8 |
-5.3 |
0.964 |
4 |
0 |
0 |
0.026 |
| 19 |
24 |
|
[GOL]A:1 |
4 |
1 |
220 |
◊ |
B |
x-y,x,z+1/3 |
6_555 |
5 |
2 |
12407 |
50.2 |
1.5 |
0.775 |
3 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[SO4]B:9 |
4 |
1 |
184 |
◊ |
B |
-x+y+1,y,-z |
11_655 |
8 |
3 |
12407 |
49.3 |
-6.4 |
0.709 |
1 |
0 |
0 |
0.053 |
| 21 |
26 |
|
[SO4]A:4 |
4 |
1 |
184 |
f |
A |
x,x-y+1,-z+1/3 |
12_565 |
10 |
3 |
12466 |
49.3 |
-5.9 |
0.821 |
0 |
0 |
0 |
0.046 |
| 22 |
27 |
|
[SO4]A:4 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12466 |
45.1 |
-4.4 |
0.955 |
2 |
0 |
0 |
0.041 |
| 23 |
28 |
|
[SO4]B:8 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
12407 |
36.3 |
-3.1 |
0.975 |
2 |
0 |
0 |
0.031 |
| 24 |
29 |
|
[SO4]A:6 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
12466 |
35.5 |
-3.3 |
0.968 |
3 |
0 |
0 |
0.036 |
| 25 |
30 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
12466 |
34.1 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.188 |
31 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
12407 |
34.0 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.188 |
| Average: |
34.1 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.188 |
| 26 |
32 |
|
[ZN]B:402 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
11 |
7 |
12407 |
33.9 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.180 |
33 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
12466 |
33.8 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.180 |
| Average: |
33.9 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.180 |
| 27 |
34 |
|
[MCO]B:2410 |
4 |
1 |
368 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.9 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.102 |
35 |
|
[MCO]A:1410 |
4 |
1 |
367 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.6 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.102 |
| Average: |
29.7 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.102 |
| 28 |
36 |
|
[MCO]B:2410 |
2 |
1 |
368 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.094 |
37 |
|
[MCO]A:1410 |
2 |
1 |
367 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.094 |
| Average: |
28.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.094 |
| 29 |
38 |
|
[SO4]A:7 |
1 |
1 |
186 |
◊ |
[SO4]B:8 |
x-y,x,z+1/3 |
6_555 |
2 |
1 |
185 |
11.0 |
-2.6 |
0.876 |
0 |
0 |
0 |
0.010 |
| 30 |
39 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.062 |
| 31 |
40 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.062 |
| 32 |
41 |
|
[SO4]A:6 |
2 |
1 |
185 |
◊ |
[SO4]A:5 |
x,y,z |
1_555 |
1 |
1 |
186 |
8.0 |
-1.8 |
0.876 |
0 |
0 |
0 |
0.007 |
|