## |
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 |
183 |
43 |
11832 |
◊ |
A |
x,y,z |
1_555 |
187 |
51 |
18008 |
1738.3 |
-6.6 |
0.511 |
33 |
20 |
0 |
0.266 |
2 |
|
B |
164 |
40 |
11832 |
x |
B |
-y+1,x-y+1,z |
2_665 |
146 |
39 |
11832 |
1497.4 |
-16.3 |
0.118 |
14 |
4 |
0 |
0.524 |
3 |
|
A |
143 |
35 |
18008 |
x |
A |
-y+1,x-y+1,z |
2_665 |
147 |
40 |
18008 |
1401.6 |
-11.6 |
0.247 |
23 |
7 |
0 |
0.331 |
4 |
|
A |
56 |
21 |
18008 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
18_555 |
56 |
21 |
18008 |
581.8 |
-10.4 |
0.032 |
0 |
0 |
0 |
0.000 |
5 |
|
A |
24 |
9 |
18008 |
◊ |
A |
y,x,-z+1 |
4_556 |
23 |
9 |
18008 |
234.8 |
-1.9 |
0.409 |
2 |
0 |
0 |
0.000 |
6 |
|
B |
23 |
7 |
11832 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
11_555 |
23 |
7 |
11832 |
192.4 |
0.5 |
0.708 |
0 |
0 |
0 |
0.000 |
7 |
|
[16N]A:1006 |
9 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
35 |
16 |
18008 |
190.0 |
5.4 |
0.173 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
18 |
5 |
11832 |
◊ |
B |
x-y+2/3,-y+4/3,-z+1/3 |
12_565 |
18 |
5 |
11832 |
180.5 |
-3.4 |
0.162 |
7 |
0 |
1 |
0.107 |
9 |
|
A |
17 |
7 |
18008 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
24 |
6 |
11832 |
159.9 |
-1.1 |
0.451 |
1 |
0 |
0 |
0.011 |
10 |
|
[FES]A:1004 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
18008 |
121.7 |
-16.0 |
0.647 |
2 |
0 |
0 |
0.245 |
11 |
|
[EDO]B:1001 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
11832 |
121.5 |
3.8 |
0.655 |
4 |
0 |
0 |
0.000 |
12 |
|
[EDO]B:1003 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
11832 |
113.6 |
4.1 |
0.694 |
3 |
0 |
0 |
0.000 |
13 |
|
[SO4]B:1005 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
11832 |
113.2 |
-15.8 |
0.811 |
3 |
0 |
0 |
0.388 |
14 |
|
[EDO]B:1006 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11832 |
92.3 |
2.3 |
0.286 |
4 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:1001 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
18008 |
89.6 |
2.8 |
0.674 |
5 |
0 |
0 |
0.000 |
16 |
|
[SO4]A:1003 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
18008 |
87.9 |
-13.1 |
0.825 |
4 |
0 |
0 |
0.215 |
17 |
|
[SO4]A:1009 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18008 |
85.8 |
-11.2 |
0.904 |
2 |
0 |
0 |
0.174 |
18 |
|
[EDO]A:1007 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11832 |
77.8 |
1.9 |
0.222 |
2 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:1002 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
18008 |
75.5 |
1.8 |
0.229 |
1 |
0 |
0 |
0.000 |
20 |
|
A |
14 |
6 |
18008 |
◊ |
[EDO]A:1002 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
185 |
73.5 |
1.9 |
0.254 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
8 |
3 |
11832 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
18_555 |
9 |
3 |
18008 |
69.1 |
-1.0 |
0.343 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:1008 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
18008 |
67.2 |
1.3 |
0.610 |
1 |
0 |
0 |
0.000 |
23 |
|
B |
5 |
3 |
11832 |
◊ |
A |
y-2/3,x-1/3,-z+2/3 |
16_445 |
6 |
2 |
18008 |
62.6 |
0.1 |
0.659 |
0 |
2 |
0 |
0.000 |
24 |
|
[FE]A:1005 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
18008 |
60.5 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.175 |
25 |
|
[EDO]B:1002 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
18008 |
56.8 |
2.7 |
0.340 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:1007 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
18008 |
53.3 |
1.1 |
0.233 |
1 |
0 |
0 |
0.000 |
27 |
|
[SO4]B:1004 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
11832 |
51.1 |
-6.0 |
0.903 |
2 |
0 |
0 |
0.156 |
28 |
|
B |
5 |
2 |
11832 |
◊ |
A |
-x+4/3,-x+y+2/3,-z+2/3 |
17_655 |
7 |
2 |
18008 |
51.0 |
1.1 |
0.846 |
1 |
2 |
0 |
0.000 |
29 |
|
[EDO]A:1001 |
4 |
1 |
185 |
f |
A |
-y+1,x-y+1,z |
2_665 |
8 |
2 |
18008 |
50.5 |
0.5 |
0.599 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]B:1002 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
11832 |
48.5 |
1.1 |
0.898 |
2 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:1008 |
3 |
1 |
185 |
f |
A |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
18008 |
33.2 |
0.9 |
0.752 |
0 |
0 |
0 |
0.000 |
32 |
|
[16N]A:1006 |
2 |
1 |
273 |
f |
[FE]A:1005 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.022 |
33 |
|
[EDO]B:1003 |
2 |
1 |
184 |
f |
B |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
11832 |
19.6 |
0.7 |
0.974 |
0 |
0 |
0 |
0.000 |
34 |
|
[SO4]B:1004 |
1 |
1 |
186 |
f |
[EDO]B:1006 |
x,y,z |
1_555 |
2 |
1 |
186 |
12.4 |
-1.2 |
0.894 |
0 |
0 |
0 |
0.027 |
35 |
|
[FES]A:1004 |
3 |
1 |
234 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
3 |
2 |
18008 |
5.2 |
-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 |
18008 |
3.2 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
1 |
1 |
18008 |
◊ |
[FE]A:1005 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
137 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
38 |
|
[EDO]B:1006 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18008 |
0.3 |
-0.0 |
0.763 |
0 |
0 |
0 |
0.000 |
|