## |
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 |
|
A |
48 |
14 |
11981 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
42 |
15 |
11981 |
413.1 |
-2.4 |
0.372 |
5 |
2 |
0 |
0.000 |
2 |
|
A |
35 |
11 |
11981 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
33 |
11 |
11981 |
319.2 |
-1.4 |
0.433 |
4 |
2 |
0 |
0.000 |
3 |
|
A |
35 |
13 |
11981 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
44 |
12 |
11981 |
318.9 |
2.5 |
0.737 |
4 |
6 |
0 |
0.000 |
4 |
|
[EDO]A:301 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
11981 |
116.1 |
4.1 |
0.643 |
2 |
0 |
0 |
0.000 |
5 |
|
[EDO]A:312 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
11981 |
101.6 |
3.8 |
0.460 |
0 |
0 |
0 |
0.000 |
6 |
|
[EDO]A:311 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
11981 |
101.3 |
2.7 |
0.409 |
0 |
0 |
0 |
0.000 |
7 |
|
[EDO]A:306 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
11981 |
93.9 |
2.4 |
0.283 |
2 |
0 |
0 |
0.000 |
8 |
|
[NO3]A:298 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
11981 |
92.3 |
1.0 |
0.506 |
3 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:310 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
11981 |
90.7 |
2.1 |
0.254 |
1 |
0 |
0 |
0.000 |
10 |
|
[EDO]A:307 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11981 |
88.9 |
1.9 |
0.322 |
0 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:303 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
11981 |
88.3 |
2.7 |
0.501 |
0 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:309 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11981 |
85.8 |
2.0 |
0.260 |
5 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:302 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
11981 |
78.1 |
1.9 |
0.422 |
2 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11981 |
78.1 |
2.4 |
0.247 |
0 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11981 |
75.6 |
2.6 |
0.453 |
0 |
0 |
0 |
0.000 |
16 |
|
A |
8 |
2 |
11981 |
◊ |
[EDO]A:308 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
183 |
74.6 |
3.0 |
0.324 |
2 |
0 |
0 |
0.000 |
17 |
|
[EDO]A:308 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11981 |
72.9 |
2.4 |
0.300 |
2 |
0 |
0 |
0.000 |
18 |
|
[CL]A:300 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11981 |
71.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
|
A |
13 |
3 |
11981 |
◊ |
[EDO]A:304 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
185 |
70.8 |
1.7 |
0.767 |
2 |
0 |
0 |
0.000 |
20 |
|
[NO3]A:296 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
11981 |
68.6 |
0.7 |
0.447 |
1 |
0 |
0 |
0.000 |
21 |
|
[NO3]A:294 |
4 |
1 |
166 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
11981 |
68.6 |
1.3 |
0.773 |
2 |
0 |
0 |
0.000 |
22 |
|
[NO3]A:297 |
4 |
1 |
166 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11981 |
62.6 |
0.7 |
0.412 |
1 |
0 |
0 |
0.000 |
23 |
|
[NO3]A:295 |
4 |
1 |
166 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
11981 |
59.3 |
0.9 |
0.553 |
2 |
0 |
0 |
0.000 |
24 |
|
A |
9 |
4 |
11981 |
f |
[CL]A:299 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
125 |
55.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
8 |
3 |
11981 |
◊ |
[NO3]A:297 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
166 |
52.9 |
1.0 |
0.107 |
1 |
0 |
0 |
0.000 |
26 |
|
A |
9 |
5 |
11981 |
x |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
5 |
11981 |
48.5 |
0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
27 |
|
[CL]A:299 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
11981 |
42.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:306 |
3 |
1 |
184 |
f |
[EDO]A:305 |
x,y,z |
1_555 |
4 |
1 |
184 |
30.9 |
1.9 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:303 |
2 |
1 |
184 |
f |
[NO3]A:294 |
x,y,z |
1_555 |
3 |
1 |
166 |
27.7 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:302 |
4 |
1 |
185 |
f |
[NO3]A:296 |
x,y,z |
1_555 |
3 |
1 |
165 |
25.7 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:302 |
3 |
1 |
185 |
f |
[NO3]A:295 |
x,y,z |
1_555 |
3 |
1 |
166 |
25.6 |
0.6 |
1.000 |
3 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:303 |
3 |
1 |
184 |
f |
[EDO]A:302 |
x,y,z |
1_555 |
2 |
1 |
185 |
23.7 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
33 |
|
[NO3]A:296 |
4 |
1 |
165 |
f |
[NO3]A:295 |
x,y,z |
1_555 |
4 |
1 |
166 |
22.8 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:303 |
3 |
1 |
184 |
f |
[NO3]A:296 |
x,y,z |
1_555 |
1 |
1 |
165 |
17.6 |
0.6 |
0.500 |
1 |
0 |
0 |
0.000 |
35 |
|
[NO3]A:295 |
3 |
1 |
166 |
f |
[NO3]A:294 |
x,y,z |
1_555 |
3 |
1 |
166 |
15.9 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[EDO]A:303 |
3 |
1 |
184 |
f |
[NO3]A:295 |
x,y,z |
1_555 |
1 |
1 |
166 |
11.4 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
2 |
1 |
11981 |
f |
[NO3]A:297 |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
166 |
10.2 |
0.2 |
0.850 |
0 |
0 |
0 |
0.000 |
38 |
|
[EDO]A:302 |
1 |
1 |
185 |
f |
[NO3]A:294 |
x,y,z |
1_555 |
1 |
1 |
166 |
7.8 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:304 |
1 |
1 |
185 |
◊ |
[CL]A:299 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|