## |
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 |
88 |
27 |
9518 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
60 |
15 |
9518 |
675.4 |
-8.4 |
0.258 |
3 |
0 |
0 |
0.000 |
2 |
|
B |
56 |
16 |
9479 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
81 |
23 |
9479 |
600.5 |
-6.9 |
0.519 |
2 |
0 |
0 |
0.000 |
Average: |
638.0 |
-7.6 |
0.388 |
3 |
0 |
0 |
0.000 |
2 |
3 |
|
[SUE]A:1301 |
42 |
1 |
1041 |
f |
A |
x,y,z |
1_555 |
69 |
23 |
9518 |
530.0 |
-9.4 |
0.688 |
5 |
0 |
0 |
0.014 |
4 |
|
[SUE]B:1301 |
40 |
1 |
1033 |
f |
B |
x,y,z |
1_555 |
64 |
21 |
9479 |
516.5 |
-9.8 |
0.719 |
6 |
0 |
0 |
0.014 |
Average: |
523.3 |
-9.6 |
0.703 |
6 |
0 |
0 |
0.014 |
3 |
5 |
|
A |
26 |
8 |
9518 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
26 |
8 |
9479 |
239.1 |
-4.2 |
0.344 |
0 |
0 |
0 |
0.000 |
4 |
6 |
|
[MES]A:1303 |
12 |
1 |
333 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
9518 |
177.5 |
3.7 |
0.128 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
18 |
10 |
9479 |
◊ |
A |
x-1,y,z |
1_455 |
20 |
8 |
9518 |
157.6 |
-2.5 |
0.445 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
17 |
7 |
9479 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
9518 |
128.2 |
1.0 |
0.851 |
0 |
0 |
0 |
0.000 |
9 |
|
A |
8 |
5 |
9518 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
3 |
9479 |
45.4 |
0.0 |
0.671 |
0 |
0 |
0 |
0.000 |
Average: |
86.8 |
0.5 |
0.761 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
[SO4]A:1306 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
9518 |
110.3 |
-15.3 |
0.617 |
0 |
0 |
0 |
0.019 |
8 |
11 |
|
[SO4]B:1306 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
9479 |
103.2 |
-16.2 |
0.651 |
1 |
0 |
0 |
0.016 |
9 |
12 |
|
[SUE]B:1301 |
9 |
1 |
1033 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
9518 |
100.0 |
-0.5 |
0.847 |
0 |
0 |
0 |
0.000 |
13 |
|
[SUE]A:1301 |
4 |
1 |
1041 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
9479 |
60.6 |
-1.6 |
0.435 |
0 |
0 |
0 |
0.000 |
Average: |
80.3 |
-1.1 |
0.641 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
[SO4]B:1305 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
9479 |
88.8 |
-13.9 |
0.840 |
2 |
0 |
0 |
0.014 |
11 |
15 |
|
[SO4]A:1307 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
9518 |
78.4 |
-9.6 |
0.947 |
1 |
0 |
0 |
0.012 |
12 |
16 |
|
[SO4]B:1304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
9479 |
78.1 |
-9.1 |
0.969 |
1 |
0 |
0 |
0.009 |
13 |
17 |
|
[MES]A:1304 |
5 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
9518 |
73.0 |
1.7 |
0.300 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
A |
11 |
4 |
9518 |
f |
[SO4]A:1305 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
184 |
59.9 |
-8.3 |
0.819 |
1 |
0 |
0 |
0.011 |
15 |
19 |
|
[SO4]B:1303 |
4 |
1 |
185 |
f |
B |
-x-1,y-1/2,-z |
2_445 |
11 |
4 |
9479 |
58.7 |
-8.3 |
0.834 |
0 |
0 |
0 |
0.008 |
16 |
20 |
|
[ZN]B:1302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
9479 |
57.5 |
-36.4 |
0.000 |
0 |
0 |
0 |
0.044 |
21 |
|
[ZN]A:1302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9518 |
53.3 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
55.4 |
-36.1 |
0.000 |
0 |
0 |
0 |
0.044 |
17 |
22 |
|
A |
5 |
2 |
9518 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
9 |
3 |
9479 |
52.6 |
-0.0 |
0.710 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[SO4]A:1305 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9518 |
44.7 |
-5.7 |
0.840 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[MES]A:1304 |
4 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
9479 |
44.0 |
-0.2 |
0.047 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[SUE]B:1301 |
3 |
1 |
1033 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
9518 |
41.2 |
-0.9 |
0.529 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[SO4]A:1307 |
4 |
1 |
185 |
f |
[MES]A:1303 |
x,y,z |
1_555 |
3 |
1 |
333 |
39.2 |
-3.0 |
0.521 |
0 |
0 |
0 |
0.004 |
22 |
27 |
|
[SO4]B:1303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
9479 |
36.0 |
-4.7 |
0.797 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
A |
5 |
2 |
9518 |
x |
A |
x-1,y,z |
1_455 |
6 |
4 |
9518 |
31.1 |
-0.2 |
0.595 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[SO4]B:1306 |
4 |
1 |
185 |
f |
[MES]A:1304 |
x,y,z |
1_555 |
4 |
1 |
334 |
27.7 |
-3.0 |
0.057 |
0 |
0 |
0 |
0.003 |
25 |
30 |
|
[SO4]B:1303 |
4 |
1 |
185 |
◊ |
[SUE]B:1301 |
x,y,z |
1_555 |
1 |
1 |
1033 |
26.6 |
-3.2 |
0.509 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[SO4]B:1304 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
9518 |
25.1 |
-3.2 |
0.800 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
A |
4 |
2 |
9518 |
◊ |
[MES]A:1303 |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
333 |
25.1 |
0.8 |
0.464 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[SO4]A:1305 |
4 |
1 |
184 |
◊ |
[SUE]A:1301 |
x,y,z |
1_555 |
1 |
1 |
1041 |
23.9 |
-2.8 |
0.565 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[SO4]A:1307 |
3 |
1 |
185 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
9479 |
23.0 |
-2.9 |
0.749 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[SO4]A:1306 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9479 |
20.7 |
-2.0 |
0.877 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[MES]A:1304 |
3 |
1 |
334 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
9479 |
16.4 |
0.8 |
0.172 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[SO4]B:1306 |
2 |
1 |
185 |
f |
[SO4]B:1304 |
x,y,z |
1_555 |
3 |
1 |
185 |
11.1 |
-2.5 |
0.976 |
0 |
0 |
0 |
0.002 |
33 |
38 |
|
[SO4]B:1306 |
1 |
1 |
185 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
9479 |
7.0 |
-1.0 |
0.482 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[SO4]B:1305 |
1 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
9479 |
5.9 |
-0.8 |
0.496 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
B |
2 |
2 |
9479 |
x |
B |
x-1,y,z |
1_455 |
2 |
2 |
9479 |
4.9 |
-0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
[SO4]B:1304 |
1 |
1 |
185 |
f |
[MES]A:1304 |
x,y,z |
1_555 |
2 |
1 |
334 |
4.6 |
-0.5 |
0.149 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
B |
1 |
1 |
9479 |
x |
B |
-x-2,y-1/2,-z |
2_345 |
1 |
1 |
9479 |
0.3 |
-0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
|