| ## |
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 |
180 |
43 |
11951 |
◊ |
A |
x,y,z |
1_555 |
187 |
50 |
18103 |
1718.8 |
-8.5 |
0.434 |
31 |
19 |
0 |
0.241 |
2 |
|
B |
166 |
41 |
11951 |
x |
B |
-y+1,x-y+1,z |
2_665 |
152 |
41 |
11951 |
1537.8 |
-17.3 |
0.098 |
13 |
4 |
0 |
0.478 |
3 |
|
A |
142 |
36 |
18103 |
x |
A |
-y+1,x-y+1,z |
2_665 |
149 |
41 |
18103 |
1381.1 |
-9.1 |
0.331 |
22 |
6 |
0 |
0.272 |
4 |
|
A |
56 |
20 |
18103 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
18_555 |
56 |
20 |
18103 |
585.1 |
-10.8 |
0.024 |
0 |
0 |
0 |
0.000 |
5 |
|
A |
24 |
9 |
18103 |
◊ |
A |
y,x,-z+1 |
4_556 |
23 |
9 |
18103 |
231.5 |
-1.7 |
0.426 |
2 |
0 |
0 |
0.011 |
6 |
|
[IAC]A:505 |
13 |
1 |
328 |
f |
A |
x,y,z |
1_555 |
35 |
16 |
18103 |
201.5 |
2.5 |
0.143 |
4 |
0 |
0 |
0.000 |
7 |
|
B |
20 |
7 |
11951 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
11_555 |
20 |
7 |
11951 |
169.5 |
-1.1 |
0.491 |
0 |
0 |
0 |
0.014 |
8 |
|
A |
16 |
8 |
18103 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
28 |
6 |
11951 |
159.3 |
-1.1 |
0.448 |
1 |
0 |
0 |
0.010 |
9 |
|
B |
17 |
6 |
11951 |
◊ |
B |
x-y+2/3,-y+4/3,-z+1/3 |
12_565 |
17 |
6 |
11951 |
149.9 |
-2.7 |
0.236 |
1 |
0 |
0 |
0.024 |
10 |
|
B |
15 |
5 |
11951 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
18_555 |
13 |
4 |
18103 |
127.0 |
-0.7 |
0.480 |
0 |
0 |
0 |
0.006 |
11 |
|
[EDO]B:703 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
11951 |
123.0 |
3.8 |
0.651 |
4 |
0 |
0 |
0.000 |
12 |
|
[FES]A:508 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
18103 |
121.9 |
-15.8 |
0.635 |
2 |
0 |
0 |
0.229 |
13 |
|
[SO4]B:702 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
11951 |
109.2 |
-15.5 |
0.704 |
4 |
0 |
0 |
0.444 |
14 |
|
[EDO]B:705 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
11951 |
104.8 |
3.3 |
0.492 |
5 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:513 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
18103 |
102.5 |
2.8 |
0.433 |
3 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:510 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
18103 |
99.1 |
2.8 |
0.436 |
3 |
0 |
0 |
0.000 |
17 |
|
[SO4]A:507 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
18103 |
96.6 |
-14.0 |
0.764 |
5 |
0 |
0 |
0.223 |
18 |
|
[SO4]B:708 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
11951 |
93.2 |
-13.0 |
0.817 |
3 |
0 |
0 |
0.369 |
19 |
|
[EDO]B:707 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
11951 |
89.9 |
2.9 |
0.470 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:701 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
11951 |
89.5 |
2.9 |
0.529 |
4 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:501 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
18103 |
89.0 |
2.9 |
0.674 |
5 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:514 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
18103 |
85.3 |
2.9 |
0.488 |
0 |
0 |
0 |
0.000 |
23 |
|
[EDO]B:706 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
11951 |
82.9 |
2.2 |
0.279 |
2 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:509 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18103 |
77.7 |
1.2 |
0.646 |
2 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:502 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
18103 |
74.1 |
2.5 |
0.321 |
1 |
0 |
0 |
0.000 |
26 |
|
A |
16 |
6 |
18103 |
f |
[EDO]A:502 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
184 |
73.0 |
1.9 |
0.259 |
1 |
0 |
0 |
0.000 |
27 |
|
[SO4]A:506 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
18103 |
72.9 |
-8.9 |
0.845 |
2 |
0 |
0 |
0.134 |
28 |
|
[EDO]A:511 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
18103 |
68.9 |
1.9 |
0.297 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:512 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
18103 |
66.1 |
1.6 |
0.696 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:514 |
4 |
1 |
183 |
f |
A |
y,x,-z+1 |
4_556 |
6 |
4 |
18103 |
65.8 |
2.0 |
0.914 |
1 |
0 |
0 |
0.000 |
31 |
|
[EDO]B:706 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
18103 |
65.3 |
1.6 |
0.228 |
1 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:511 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11951 |
64.6 |
1.6 |
0.273 |
1 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:509 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
11951 |
62.3 |
2.3 |
0.318 |
0 |
0 |
0 |
0.000 |
34 |
|
[SO4]A:515 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18103 |
60.8 |
-8.7 |
0.603 |
1 |
0 |
0 |
0.126 |
35 |
|
B |
8 |
5 |
11951 |
◊ |
[EDO]B:701 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
184 |
59.7 |
1.6 |
0.862 |
0 |
0 |
0 |
0.000 |
36 |
|
[EDO]A:503 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
18103 |
56.4 |
1.0 |
0.751 |
1 |
0 |
0 |
0.000 |
37 |
|
[FE]A:504 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
18103 |
55.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.148 |
38 |
|
[SO4]B:708 |
4 |
1 |
186 |
◊ |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
11_555 |
9 |
3 |
11951 |
54.0 |
-7.4 |
0.779 |
0 |
0 |
0 |
0.191 |
39 |
|
[EDO]B:704 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
18103 |
53.2 |
1.7 |
0.855 |
0 |
0 |
0 |
0.000 |
40 |
|
[EDO]A:501 |
4 |
1 |
185 |
f |
A |
-y+1,x-y+1,z |
2_665 |
8 |
2 |
18103 |
50.5 |
0.4 |
0.592 |
1 |
0 |
0 |
0.000 |
41 |
|
B |
7 |
2 |
11951 |
◊ |
A |
y-2/3,x-1/3,-z+2/3 |
16_445 |
6 |
2 |
18103 |
50.1 |
0.4 |
0.721 |
1 |
2 |
0 |
0.003 |
42 |
|
B |
9 |
3 |
11951 |
◊ |
[EDO]B:707 |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
183 |
49.7 |
1.5 |
0.262 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]B:704 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
11951 |
47.9 |
1.1 |
0.897 |
2 |
0 |
0 |
0.000 |
44 |
|
[EDO]A:510 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
11951 |
40.8 |
1.6 |
0.963 |
2 |
0 |
0 |
0.000 |
45 |
|
[IAC]A:505 |
3 |
1 |
328 |
f |
[FE]A:504 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.047 |
46 |
|
B |
3 |
1 |
11951 |
◊ |
A |
-x+4/3,-x+y+2/3,-z+2/3 |
17_655 |
5 |
2 |
18103 |
37.0 |
0.3 |
0.672 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
7 |
3 |
18103 |
f |
[EDO]A:511 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
184 |
32.1 |
0.8 |
0.762 |
0 |
0 |
0 |
0.000 |
48 |
|
[EDO]A:513 |
1 |
1 |
184 |
f |
[EDO]A:512 |
x,y,z |
1_555 |
2 |
1 |
184 |
27.1 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
49 |
|
[EDO]B:705 |
3 |
1 |
185 |
f |
[EDO]B:701 |
-y+1,x-y+1,z |
2_665 |
2 |
1 |
184 |
24.0 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
50 |
|
[EDO]B:705 |
2 |
1 |
185 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
11951 |
18.0 |
0.8 |
0.968 |
0 |
0 |
0 |
0.000 |
51 |
|
[FES]A:508 |
2 |
1 |
234 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
2 |
1 |
18103 |
8.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
52 |
|
A |
1 |
1 |
18103 |
f |
[EDO]A:503 |
-y+1,x-y+1,z |
2_665 |
2 |
1 |
184 |
4.2 |
0.2 |
0.882 |
0 |
0 |
0 |
0.000 |
53 |
|
[EDO]B:703 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
18103 |
3.8 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
54 |
|
[SO4]A:506 |
1 |
1 |
185 |
◊ |
[SO4]A:506 |
y,x,-z+1 |
4_556 |
1 |
1 |
185 |
3.6 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.004 |
55 |
|
[SO4]B:708 |
1 |
1 |
186 |
◊ |
[SO4]B:708 |
-x+2/3,-x+y+1/3,-z+1/3 |
11_555 |
1 |
1 |
186 |
1.5 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.005 |
56 |
|
[EDO]B:707 |
1 |
1 |
183 |
fx |
[EDO]B:707 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
183 |
0.6 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|