## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
181 |
43 |
11743 |
◊ |
A |
x,y,z |
1_555 |
184 |
52 |
17988 |
1729.2 |
-7.7 |
0.527 |
32 |
21 |
0 |
0.271 |
2 |
|
B |
165 |
40 |
11743 |
x |
B |
-y+1,x-y+1,z |
2_665 |
139 |
39 |
11743 |
1474.9 |
-15.5 |
0.153 |
16 |
3 |
0 |
0.529 |
3 |
|
A |
144 |
35 |
17988 |
x |
A |
-y+1,x-y+1,z |
2_665 |
145 |
40 |
17988 |
1399.9 |
-12.0 |
0.229 |
23 |
7 |
0 |
0.331 |
4 |
|
A |
59 |
21 |
17988 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
18_555 |
59 |
21 |
17988 |
578.2 |
-10.5 |
0.036 |
0 |
0 |
0 |
0.000 |
5 |
|
A |
26 |
11 |
17988 |
◊ |
A |
y,x,-z+1 |
4_556 |
25 |
11 |
17988 |
238.1 |
-1.9 |
0.422 |
2 |
0 |
0 |
0.000 |
6 |
|
[1ON]A:1006 |
10 |
1 |
286 |
f |
A |
x,y,z |
1_555 |
35 |
16 |
17988 |
200.7 |
4.9 |
0.158 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
20 |
7 |
11743 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
11_555 |
20 |
7 |
11743 |
181.9 |
-0.2 |
0.631 |
2 |
0 |
0 |
0.011 |
8 |
|
B |
18 |
5 |
11743 |
◊ |
B |
x-y+2/3,-y+4/3,-z+1/3 |
12_565 |
18 |
5 |
11743 |
179.3 |
-3.6 |
0.149 |
9 |
0 |
1 |
0.116 |
9 |
|
A |
17 |
7 |
17988 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
22 |
6 |
11743 |
160.8 |
-1.0 |
0.464 |
1 |
0 |
0 |
0.011 |
10 |
|
[FES]A:1004 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
17988 |
122.5 |
-16.1 |
0.638 |
2 |
0 |
0 |
0.242 |
11 |
|
[EDO]B:1001 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
11743 |
120.3 |
3.8 |
0.661 |
4 |
0 |
0 |
0.000 |
12 |
|
[EDO]B:1003 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
11743 |
113.4 |
4.0 |
0.699 |
4 |
0 |
0 |
0.000 |
13 |
|
[SO4]B:1005 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11743 |
107.3 |
-15.0 |
0.785 |
3 |
0 |
0 |
0.375 |
14 |
|
[EDO]B:1006 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11743 |
92.1 |
2.2 |
0.285 |
4 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:1001 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
17988 |
90.1 |
2.8 |
0.674 |
5 |
0 |
0 |
0.000 |
16 |
|
[SO4]A:1003 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17988 |
86.6 |
-12.8 |
0.836 |
5 |
0 |
0 |
0.214 |
17 |
|
[SO4]A:1009 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17988 |
84.8 |
-11.2 |
0.861 |
1 |
0 |
0 |
0.166 |
18 |
|
[EDO]A:1007 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
11743 |
77.1 |
2.1 |
0.472 |
2 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:1002 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17988 |
75.2 |
1.9 |
0.239 |
1 |
0 |
0 |
0.000 |
20 |
|
A |
15 |
6 |
17988 |
◊ |
[EDO]A:1002 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
184 |
73.2 |
1.7 |
0.256 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
9 |
3 |
11743 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
18_555 |
9 |
3 |
17988 |
68.7 |
-0.6 |
0.403 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:1008 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
17988 |
67.4 |
1.3 |
0.603 |
1 |
0 |
0 |
0.000 |
23 |
|
[FE]A:1005 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
17988 |
60.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.171 |
24 |
|
B |
8 |
3 |
11743 |
◊ |
A |
y-2/3,x-1/3,-z+2/3 |
16_445 |
5 |
2 |
17988 |
59.8 |
0.7 |
0.745 |
1 |
2 |
0 |
0.000 |
25 |
|
[EDO]B:1002 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
17988 |
56.2 |
1.8 |
0.617 |
0 |
0 |
0 |
0.000 |
26 |
|
[SO4]B:1004 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
11743 |
53.9 |
-6.3 |
0.905 |
2 |
0 |
0 |
0.166 |
27 |
|
[EDO]A:1007 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17988 |
53.5 |
1.2 |
0.234 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:1001 |
4 |
1 |
186 |
f |
A |
-y+1,x-y+1,z |
2_665 |
8 |
2 |
17988 |
50.4 |
0.5 |
0.598 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]B:1002 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
11743 |
50.1 |
1.3 |
0.909 |
1 |
0 |
0 |
0.000 |
30 |
|
B |
3 |
1 |
11743 |
◊ |
A |
-x+4/3,-x+y+2/3,-z+2/3 |
17_655 |
6 |
2 |
17988 |
40.3 |
0.2 |
0.661 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:1008 |
3 |
1 |
185 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
17988 |
33.9 |
1.0 |
0.777 |
0 |
0 |
0 |
0.000 |
32 |
|
[1ON]A:1006 |
4 |
1 |
286 |
f |
[FE]A:1005 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.027 |
33 |
|
[EDO]B:1003 |
3 |
1 |
184 |
f |
B |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
11743 |
18.0 |
0.6 |
0.971 |
0 |
0 |
0 |
0.000 |
34 |
|
[SO4]B:1004 |
1 |
1 |
186 |
f |
[EDO]B:1006 |
x,y,z |
1_555 |
2 |
1 |
185 |
12.1 |
-1.1 |
0.894 |
0 |
0 |
0 |
0.026 |
35 |
|
[FES]A:1004 |
3 |
1 |
234 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
3 |
2 |
17988 |
4.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
36 |
|
[EDO]B:1001 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
17988 |
4.1 |
-0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
1 |
1 |
17988 |
◊ |
[FE]A:1005 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
137 |
1.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
38 |
|
[EDO]B:1006 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17988 |
1.1 |
-0.0 |
0.693 |
0 |
0 |
0 |
0.000 |
|