| ## |
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 |
179 |
43 |
11787 |
◊ |
A |
x,y,z |
1_555 |
183 |
52 |
17961 |
1727.3 |
-7.9 |
0.512 |
32 |
20 |
0 |
0.266 |
2 |
|
B |
163 |
40 |
11787 |
x |
B |
-y+1,x-y+1,z |
2_665 |
143 |
39 |
11787 |
1490.1 |
-15.2 |
0.156 |
13 |
4 |
0 |
0.489 |
3 |
|
A |
145 |
35 |
17961 |
x |
A |
-y+1,x-y+1,z |
2_665 |
144 |
40 |
17961 |
1394.1 |
-11.7 |
0.245 |
23 |
7 |
0 |
0.328 |
4 |
|
A |
56 |
20 |
17961 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
18_555 |
56 |
20 |
17961 |
562.8 |
-10.1 |
0.038 |
0 |
0 |
0 |
0.000 |
5 |
|
A |
26 |
11 |
17961 |
◊ |
A |
y,x,-z+1 |
4_556 |
25 |
11 |
17961 |
236.1 |
-1.8 |
0.432 |
2 |
0 |
0 |
0.000 |
6 |
|
[16N]A:1006 |
9 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
35 |
16 |
17961 |
191.6 |
5.3 |
0.166 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
19 |
7 |
11787 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
11_555 |
19 |
7 |
11787 |
179.7 |
-0.1 |
0.643 |
2 |
0 |
0 |
0.010 |
8 |
|
B |
18 |
5 |
11787 |
◊ |
B |
x-y+2/3,-y+4/3,-z+1/3 |
12_565 |
18 |
5 |
11787 |
177.3 |
-3.5 |
0.154 |
7 |
0 |
1 |
0.107 |
9 |
|
A |
17 |
7 |
17961 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
22 |
6 |
11787 |
163.5 |
-1.0 |
0.458 |
1 |
0 |
0 |
0.011 |
10 |
|
[FES]A:1004 |
4 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
17961 |
121.3 |
-16.0 |
0.645 |
2 |
0 |
0 |
0.241 |
11 |
|
[EDO]B:1001 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
11787 |
120.8 |
3.8 |
0.660 |
4 |
0 |
0 |
0.000 |
12 |
|
[SO4]B:1005 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
11787 |
113.7 |
-15.9 |
0.801 |
4 |
0 |
0 |
0.400 |
13 |
|
[EDO]B:1003 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
11787 |
113.1 |
4.0 |
0.700 |
4 |
0 |
0 |
0.000 |
14 |
|
[EDO]B:1006 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11787 |
93.0 |
2.3 |
0.285 |
4 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:1001 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
17961 |
90.4 |
2.8 |
0.673 |
5 |
0 |
0 |
0.000 |
16 |
|
[SO4]A:1003 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17961 |
87.5 |
-12.9 |
0.844 |
5 |
0 |
0 |
0.216 |
17 |
|
[SO4]A:1009 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17961 |
85.6 |
-11.1 |
0.902 |
2 |
0 |
0 |
0.172 |
18 |
|
[EDO]A:1007 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11787 |
78.4 |
2.1 |
0.419 |
2 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:1002 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
17961 |
75.6 |
1.9 |
0.233 |
1 |
0 |
0 |
0.000 |
20 |
|
A |
16 |
6 |
17961 |
f |
[EDO]A:1002 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
185 |
73.3 |
1.8 |
0.260 |
1 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:1008 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
17961 |
68.1 |
1.3 |
0.595 |
1 |
0 |
0 |
0.000 |
22 |
|
B |
9 |
3 |
11787 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
18_555 |
9 |
3 |
17961 |
65.4 |
-0.7 |
0.402 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
6 |
3 |
11787 |
◊ |
A |
y-2/3,x-1/3,-z+2/3 |
16_445 |
6 |
2 |
17961 |
65.3 |
0.5 |
0.751 |
0 |
2 |
0 |
0.000 |
24 |
|
[FE]A:1005 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
17961 |
60.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.172 |
25 |
|
[SO4]B:1004 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
11787 |
53.5 |
-6.3 |
0.903 |
2 |
0 |
0 |
0.162 |
26 |
|
[EDO]A:1007 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17961 |
53.4 |
1.2 |
0.676 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:1001 |
4 |
1 |
185 |
f |
A |
-y+1,x-y+1,z |
2_665 |
8 |
2 |
17961 |
50.5 |
0.5 |
0.599 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]B:1002 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
17961 |
49.1 |
1.6 |
0.303 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
4 |
2 |
11787 |
◊ |
A |
-x+4/3,-x+y+2/3,-z+2/3 |
17_655 |
7 |
2 |
17961 |
49.0 |
0.9 |
0.842 |
1 |
1 |
0 |
0.000 |
30 |
|
[EDO]B:1002 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
11787 |
47.3 |
1.1 |
0.898 |
2 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:1008 |
3 |
1 |
185 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
17961 |
32.5 |
0.9 |
0.769 |
0 |
0 |
0 |
0.000 |
32 |
|
[16N]A:1006 |
2 |
1 |
272 |
f |
[FE]A:1005 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.022 |
33 |
|
[EDO]B:1003 |
3 |
1 |
182 |
f |
B |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
11787 |
16.5 |
0.6 |
0.972 |
0 |
0 |
0 |
0.000 |
34 |
|
[SO4]B:1004 |
1 |
1 |
186 |
f |
[EDO]B:1006 |
x,y,z |
1_555 |
2 |
1 |
187 |
12.7 |
-1.3 |
0.894 |
0 |
0 |
0 |
0.028 |
35 |
|
[FES]A:1004 |
3 |
1 |
235 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
3 |
2 |
17961 |
6.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
36 |
|
[EDO]B:1001 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
17961 |
3.5 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
1 |
1 |
17961 |
◊ |
[FE]A:1005 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
137 |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
38 |
|
[EDO]B:1006 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17961 |
0.8 |
-0.0 |
0.712 |
0 |
0 |
0 |
0.000 |
|