## |
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 |
60 |
17 |
2869 |
◊ |
A |
-y+1,-x+1,-z-1/6 |
10_664 |
59 |
17 |
2869 |
525.4 |
-11.2 |
0.411 |
0 |
0 |
0 |
0.755 |
2 |
|
B |
59 |
16 |
2439 |
◊ |
B |
-y+1,-x+1,-z-1/6 |
10_664 |
58 |
16 |
2439 |
524.9 |
-13.0 |
0.222 |
0 |
0 |
0 |
0.755 |
Average: |
525.1 |
-12.1 |
0.317 |
0 |
0 |
0 |
0.755 |
2 |
3 |
|
B |
33 |
10 |
2439 |
◊ |
A |
-y+1,-x+1,-z-1/6 |
10_664 |
30 |
10 |
2869 |
340.0 |
-7.4 |
0.258 |
0 |
0 |
0 |
0.128 |
3 |
4 |
|
B |
34 |
9 |
2439 |
◊ |
A |
-x+1,-y+1,z-1/2 |
4_664 |
41 |
11 |
2869 |
319.5 |
-1.8 |
0.832 |
1 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
32 |
10 |
2869 |
◊ |
A |
y,x,-z+1/3 |
7_555 |
31 |
10 |
2869 |
210.6 |
-1.3 |
0.842 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
18 |
4 |
2869 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
18 |
4 |
2869 |
174.9 |
-3.0 |
0.590 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
16 |
4 |
2439 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
17 |
4 |
2869 |
129.2 |
-2.5 |
0.543 |
0 |
0 |
0 |
0.009 |
7 |
8 |
|
B |
9 |
6 |
2439 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
2869 |
104.0 |
-3.0 |
0.195 |
0 |
0 |
0 |
0.051 |
8 |
9 |
|
[SO4]B:101 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
2439 |
85.8 |
-10.3 |
0.923 |
2 |
0 |
0 |
0.274 |
9 |
10 |
|
B |
8 |
3 |
2439 |
◊ |
B |
-x+y,y,-z-1/2 |
11_554 |
8 |
3 |
2439 |
85.0 |
1.3 |
0.859 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[ACE]A:0 |
3 |
1 |
170 |
cf |
A |
x,y,z |
1_555 |
12 |
4 |
2869 |
76.2 |
-1.4 |
0.770 |
0 |
0 |
0 |
0.187 |
11 |
12 |
|
B |
11 |
1 |
2439 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
6 |
2 |
2869 |
69.3 |
-1.6 |
0.467 |
0 |
0 |
0 |
0.006 |
12 |
13 |
|
B |
9 |
2 |
2439 |
f |
[SO4]A:101 |
x-y,x,z+1/6 |
6_555 |
5 |
1 |
184 |
58.5 |
-7.2 |
0.873 |
2 |
0 |
0 |
0.200 |
13 |
14 |
|
[ACE]B:0 |
3 |
1 |
170 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
2439 |
53.9 |
-0.6 |
0.738 |
3 |
0 |
0 |
0.047 |
14 |
15 |
|
B |
5 |
3 |
2439 |
◊ |
B |
y,x,-z-2/3 |
7_554 |
5 |
3 |
2439 |
44.6 |
0.2 |
0.771 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[NH4]A:102 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
2869 |
39.5 |
0.6 |
0.874 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
A |
11 |
2 |
2869 |
◊ |
B |
-x+1,-x+y,-z-1/3 |
9_654 |
6 |
4 |
2439 |
39.0 |
-0.5 |
0.702 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[ACE]B:0 |
3 |
1 |
170 |
◊ |
B |
-y+1,-x+1,-z-1/6 |
10_664 |
8 |
3 |
2439 |
38.0 |
-0.8 |
0.714 |
0 |
0 |
0 |
0.019 |
18 |
19 |
|
[SO4]B:101 |
4 |
1 |
184 |
◊ |
B |
-y+1,-x+1,-z-1/6 |
10_664 |
2 |
1 |
2439 |
37.7 |
-3.7 |
0.944 |
0 |
0 |
0 |
0.090 |
19 |
20 |
|
[SO4]A:101 |
4 |
1 |
184 |
◊ |
B |
-x+1,-x+y,-z-1/3 |
9_654 |
5 |
1 |
2439 |
37.7 |
-4.2 |
0.805 |
0 |
0 |
0 |
0.103 |
20 |
21 |
|
[NH4]B:102 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
2439 |
37.5 |
0.3 |
0.826 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[SO4]A:101 |
4 |
1 |
184 |
◊ |
A |
-y+1,-x+1,-z-1/6 |
10_664 |
3 |
1 |
2869 |
34.9 |
-3.2 |
0.912 |
1 |
0 |
0 |
0.013 |
22 |
23 |
|
[ACE]A:0 |
3 |
1 |
170 |
◊ |
A |
-y+1,-x+1,-z-1/6 |
10_664 |
6 |
3 |
2869 |
34.4 |
-0.7 |
0.678 |
0 |
0 |
0 |
0.091 |
23 |
24 |
|
A |
10 |
1 |
2869 |
◊ |
[ACE]B:0 |
-x+1,-x+y,-z-1/3 |
9_654 |
3 |
1 |
170 |
33.1 |
-0.9 |
0.743 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[SO4]A:101 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
2869 |
32.5 |
-3.1 |
0.919 |
1 |
0 |
0 |
0.012 |
25 |
26 |
|
B |
5 |
2 |
2439 |
◊ |
[NH4]A:102 |
-x+1,-y+1,z-1/2 |
4_664 |
1 |
1 |
117 |
31.8 |
0.5 |
0.876 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[NH4]A:102 |
1 |
1 |
117 |
f |
A |
y,x,-z+1/3 |
7_555 |
5 |
2 |
2869 |
26.9 |
0.4 |
0.877 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
B |
3 |
1 |
2439 |
◊ |
[ACE]A:0 |
x-y,-y+1,-z |
8_565 |
2 |
1 |
170 |
24.8 |
-0.7 |
0.675 |
0 |
0 |
0 |
0.002 |
28 |
29 |
|
A |
2 |
1 |
2869 |
f |
[NH4]B:102 |
-x+1,-x+y,-z-1/3 |
9_654 |
1 |
1 |
117 |
21.1 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.015 |
29 |
30 |
|
[NH4]B:102 |
1 |
1 |
117 |
◊ |
[ACE]B:0 |
x,y,z |
1_555 |
2 |
1 |
170 |
18.3 |
0.4 |
0.943 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[NH4]B:102 |
1 |
1 |
117 |
◊ |
B |
-y+1,-x+1,-z-1/6 |
10_664 |
3 |
1 |
2439 |
14.0 |
-0.0 |
0.718 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[NH4]B:102 |
1 |
1 |
117 |
◊ |
A |
-x+1,-y+1,z-1/2 |
4_664 |
3 |
1 |
2869 |
13.8 |
0.3 |
0.895 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
[SO4]A:101 |
1 |
1 |
184 |
◊ |
[SO4]B:101 |
-x+1,-x+y,-z-1/3 |
9_654 |
2 |
1 |
184 |
13.3 |
-3.1 |
0.876 |
0 |
0 |
0 |
0.076 |
33 |
34 |
|
[SO4]A:101 |
2 |
1 |
184 |
◊ |
[ACE]B:0 |
-x+1,-x+y,-z-1/3 |
9_654 |
1 |
1 |
170 |
8.5 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.031 |
34 |
35 |
|
[NH4]B:102 |
1 |
1 |
117 |
◊ |
A |
-y+1,-x+1,-z-1/6 |
10_664 |
3 |
2 |
2869 |
6.9 |
-0.0 |
0.837 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
A |
1 |
1 |
2869 |
x |
A |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
2869 |
1.8 |
-0.0 |
0.693 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[ACE]B:0 |
2 |
1 |
170 |
◊ |
A |
-x+1,-y+1,z-1/2 |
4_664 |
1 |
1 |
2869 |
1.6 |
0.0 |
0.854 |
0 |
0 |
0 |
0.000 |
|