## |
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 |
131 |
40 |
13499 |
◊ |
A |
x,y,z |
1_555 |
125 |
39 |
13602 |
1240.8 |
-4.6 |
0.611 |
14 |
9 |
0 |
0.108 |
2 |
2 |
|
[N78]B:1105 |
43 |
1 |
837 |
cf |
B |
x,y,z |
1_555 |
77 |
27 |
13499 |
579.7 |
-7.9 |
0.370 |
3 |
0 |
0 |
0.161 |
3 |
|
[N78]A:1101 |
42 |
1 |
841 |
cf |
A |
x,y,z |
1_555 |
72 |
27 |
13602 |
552.3 |
-8.0 |
0.330 |
2 |
0 |
0 |
0.161 |
Average: |
566.0 |
-7.9 |
0.350 |
3 |
0 |
0 |
0.161 |
3 |
4 |
|
A |
51 |
15 |
13602 |
◊ |
B |
x-1,y,z |
1_455 |
56 |
15 |
13499 |
537.5 |
-2.0 |
0.586 |
5 |
1 |
0 |
0.000 |
4 |
5 |
|
B |
43 |
12 |
13499 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
50 |
16 |
13602 |
428.9 |
-0.2 |
0.546 |
6 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
43 |
14 |
13602 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
44 |
18 |
13499 |
406.3 |
-0.7 |
0.641 |
8 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
45 |
13 |
13602 |
x |
A |
-x-3/2,-y,z-1/2 |
2_354 |
30 |
9 |
13602 |
315.6 |
-5.6 |
0.147 |
5 |
1 |
0 |
0.000 |
7 |
8 |
|
B |
29 |
10 |
13499 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
26 |
8 |
13602 |
253.3 |
-2.3 |
0.417 |
0 |
1 |
0 |
0.000 |
8 |
9 |
|
[SO4]B:1103 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
13499 |
111.5 |
-17.5 |
0.754 |
8 |
0 |
0 |
0.187 |
9 |
10 |
|
A |
13 |
6 |
13602 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
16 |
6 |
13499 |
111.3 |
-1.4 |
0.437 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]B:1101 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
13499 |
106.2 |
3.3 |
0.441 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:1103 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
13602 |
100.1 |
3.4 |
0.489 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
A |
15 |
5 |
13602 |
x |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
9 |
3 |
13602 |
95.1 |
1.4 |
0.812 |
1 |
2 |
0 |
0.000 |
13 |
14 |
|
[SO4]B:1104 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
13602 |
85.1 |
-10.3 |
0.854 |
4 |
0 |
0 |
0.107 |
14 |
15 |
|
[SO4]A:1104 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
13499 |
81.1 |
-10.2 |
0.829 |
3 |
0 |
0 |
0.102 |
15 |
16 |
|
[EDO]B:1102 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
13499 |
80.8 |
2.6 |
0.531 |
2 |
0 |
0 |
0.000 |
16 |
17 |
|
B |
5 |
1 |
13499 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
4 |
13499 |
79.8 |
1.9 |
0.851 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
A |
6 |
3 |
13602 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
7 |
3 |
13499 |
79.0 |
-1.3 |
0.204 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[SO4]A:1105 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13602 |
71.1 |
-8.9 |
0.934 |
3 |
0 |
0 |
0.091 |
19 |
20 |
|
[SO4]A:1105 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
13499 |
68.2 |
-7.6 |
0.947 |
4 |
0 |
0 |
0.083 |
20 |
21 |
|
[SO4]B:1104 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
13499 |
64.8 |
-9.1 |
0.844 |
2 |
0 |
0 |
0.089 |
21 |
22 |
|
[EDO]A:1102 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
13602 |
64.7 |
1.4 |
0.841 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[SO4]A:1104 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13602 |
61.7 |
-8.5 |
0.842 |
2 |
0 |
0 |
0.083 |
23 |
24 |
|
[EDO]A:1102 |
4 |
1 |
184 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
13499 |
49.9 |
1.4 |
0.745 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
A |
7 |
3 |
13602 |
◊ |
[EDO]B:1102 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
183 |
47.5 |
1.6 |
0.267 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[EDO]A:1102 |
4 |
1 |
184 |
f |
[N78]A:1101 |
x,y,z |
1_555 |
9 |
1 |
841 |
47.3 |
0.5 |
0.858 |
1 |
0 |
0 |
0.000 |
26 |
27 |
|
[SO4]B:1103 |
1 |
1 |
186 |
f |
[N78]B:1105 |
x,y,z |
1_555 |
3 |
1 |
837 |
22.8 |
-3.2 |
0.673 |
0 |
0 |
0 |
0.028 |
27 |
28 |
|
[EDO]A:1102 |
2 |
1 |
184 |
◊ |
[EDO]B:1102 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
183 |
17.3 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[SO4]A:1105 |
2 |
1 |
185 |
◊ |
[SO4]A:1104 |
x,y,z |
1_555 |
2 |
1 |
186 |
13.6 |
-3.3 |
0.960 |
0 |
0 |
0 |
0.029 |
29 |
30 |
|
[SO4]B:1104 |
1 |
1 |
185 |
f |
[SO4]A:1105 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.1 |
-1.2 |
0.800 |
0 |
0 |
0 |
0.011 |
30 |
31 |
|
[N78]A:1101 |
1 |
1 |
841 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
13499 |
4.3 |
-0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
B |
1 |
1 |
13499 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
13499 |
1.0 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
B |
1 |
1 |
13499 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
13499 |
0.5 |
-0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
|