## |
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 |
227 |
58 |
16003 |
x |
B |
-y+2,x-y+2,z |
2_775 |
231 |
67 |
16003 |
2219.2 |
-14.8 |
0.354 |
36 |
15 |
0 |
0.135 |
2 |
|
A |
230 |
58 |
15852 |
x |
A |
-y+1,x-y+1,z |
2_665 |
229 |
66 |
15852 |
2193.0 |
-16.0 |
0.453 |
33 |
16 |
0 |
0.135 |
Average: |
2206.1 |
-15.4 |
0.404 |
35 |
16 |
0 |
0.135 |
2 |
3 |
|
B |
11 |
5 |
16003 |
◊ |
A |
-x+y-1/3,-x+4/3,z+1/3 |
6_465 |
15 |
7 |
15852 |
107.4 |
-0.3 |
0.594 |
1 |
1 |
0 |
0.000 |
4 |
|
B |
12 |
5 |
16003 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
15852 |
94.4 |
-0.1 |
0.623 |
0 |
2 |
0 |
0.000 |
Average: |
100.9 |
-0.2 |
0.608 |
1 |
2 |
0 |
0.000 |
3 |
5 |
|
[SO4]B:1345 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
16003 |
91.0 |
-12.5 |
0.748 |
2 |
0 |
0 |
0.054 |
4 |
6 |
|
[SO4]A:1346 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
15852 |
87.1 |
-12.0 |
0.761 |
2 |
0 |
0 |
0.046 |
5 |
7 |
|
[SO4]A:1345 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
15852 |
75.0 |
-9.5 |
0.837 |
2 |
0 |
0 |
0.037 |
6 |
8 |
|
[SO4]B:1344 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
16003 |
71.6 |
-8.9 |
0.825 |
1 |
0 |
0 |
0.038 |
7 |
9 |
|
[SO4]B:1346 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
16003 |
61.1 |
-6.3 |
0.955 |
1 |
0 |
0 |
0.027 |
8 |
10 |
|
[ZN]A:1340 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
15852 |
57.7 |
-34.7 |
0.000 |
0 |
0 |
0 |
0.136 |
11 |
|
[ZN]B:1339 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
16003 |
55.8 |
-33.5 |
0.000 |
0 |
0 |
0 |
0.136 |
Average: |
56.7 |
-34.1 |
0.000 |
0 |
0 |
0 |
0.136 |
9 |
12 |
|
[ZN]A:1344 |
1 |
1 |
98 |
f |
A |
-y+1,x-y+1,z |
2_665 |
11 |
7 |
15852 |
56.4 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.090 |
10 |
13 |
|
[ZN]B:1343 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
16003 |
51.2 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.122 |
14 |
|
[ZN]A:1343 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
15852 |
50.2 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.122 |
Average: |
50.7 |
-31.2 |
0.000 |
0 |
0 |
0 |
0.122 |
11 |
15 |
|
[SO4]B:1344 |
4 |
1 |
185 |
◊ |
B |
-y+2,x-y+2,z |
2_775 |
5 |
2 |
16003 |
50.7 |
-6.0 |
0.630 |
0 |
0 |
0 |
0.025 |
12 |
16 |
|
[CU]B:1338 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
16003 |
47.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.029 |
17 |
|
[CU]A:1338 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15852 |
47.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
47.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.029 |
13 |
18 |
|
[SO4]A:1345 |
4 |
1 |
186 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
5 |
2 |
15852 |
47.0 |
-5.8 |
0.569 |
0 |
0 |
0 |
0.020 |
14 |
19 |
|
B |
10 |
4 |
16003 |
◊ |
[CU]B:1338 |
-y+2,x-y+2,z |
2_775 |
1 |
1 |
125 |
45.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.023 |
20 |
|
A |
10 |
4 |
15852 |
◊ |
[CU]A:1338 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
125 |
45.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
45.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.023 |
15 |
21 |
|
[ZN]A:1342 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
15852 |
44.2 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.095 |
22 |
|
[ZN]B:1342 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
16003 |
43.4 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
43.8 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.095 |
16 |
23 |
|
[ZN]B:1340 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
16003 |
41.7 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.102 |
24 |
|
[ZN]A:1339 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15852 |
40.8 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
41.2 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.102 |
17 |
25 |
|
[ZN]B:1341 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
16003 |
39.1 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.067 |
26 |
|
[ZN]A:1341 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
15852 |
39.0 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
39.1 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.067 |
18 |
27 |
|
B |
5 |
3 |
16003 |
◊ |
[ZN]A:1339 |
-x+y-1/3,-x+4/3,z+1/3 |
6_465 |
1 |
1 |
98 |
32.9 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[ZN]B:1340 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15852 |
32.1 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
32.5 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[ZN]A:1344 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15852 |
32.8 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.050 |
20 |
30 |
|
[SO4]B:1344 |
3 |
1 |
185 |
cf |
[ZN]B:1341 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.061 |
21 |
31 |
|
[SO4]A:1345 |
4 |
1 |
186 |
cf |
[ZN]A:1341 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.1 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.106 |
32 |
|
[SO4]B:1345 |
3 |
1 |
186 |
cf |
[ZN]B:1341 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.106 |
33 |
|
[SO4]A:1346 |
3 |
1 |
187 |
f |
[ZN]A:1341 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.1 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.106 |
Average: |
29.7 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.106 |
22 |
34 |
|
[SO4]A:1346 |
2 |
1 |
187 |
f |
[SO4]A:1345 |
x,y,z |
1_555 |
1 |
1 |
186 |
22.7 |
-5.4 |
0.876 |
0 |
0 |
0 |
0.019 |
23 |
35 |
|
[SO4]B:1345 |
1 |
1 |
186 |
f |
[SO4]B:1344 |
x,y,z |
1_555 |
1 |
1 |
185 |
22.7 |
-5.4 |
0.800 |
0 |
0 |
0 |
0.022 |
24 |
36 |
|
A |
2 |
1 |
15852 |
x |
A |
-y,x-y+1,z |
2_565 |
2 |
1 |
15852 |
19.1 |
-0.6 |
0.227 |
0 |
0 |
0 |
0.000 |
25 |
37 |
|
[SO4]B:1346 |
2 |
1 |
186 |
◊ |
A |
-x+y-1/3,-x+4/3,z+1/3 |
6_465 |
2 |
2 |
15852 |
11.6 |
-1.5 |
0.616 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
B |
1 |
1 |
16003 |
x |
B |
-y+2,x-y+1,z |
2_765 |
1 |
1 |
16003 |
0.6 |
-0.0 |
0.539 |
0 |
0 |
0 |
0.000 |
|