| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
B |
296 |
75 |
13522 |
◊ |
A |
x,y,z |
1_555 |
282 |
74 |
13795 |
2968.8 |
-43.9 |
0.006 |
27 |
10 |
0 |
0.220 |
| 2 |
2 |
|
[NAI]A:301 |
42 |
1 |
865 |
f |
A |
x,y,z |
1_555 |
66 |
25 |
13795 |
514.0 |
-4.8 |
0.431 |
8 |
0 |
0 |
0.065 |
3 |
|
[NAI]B:301 |
41 |
1 |
860 |
f |
B |
x,y,z |
1_555 |
64 |
23 |
13522 |
511.3 |
-5.0 |
0.399 |
8 |
0 |
0 |
0.065 |
| Average: |
512.6 |
-4.9 |
0.415 |
8 |
0 |
0 |
0.065 |
| 3 |
4 |
|
B |
37 |
10 |
13522 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
43 |
15 |
13522 |
346.6 |
-1.8 |
0.545 |
7 |
4 |
0 |
0.000 |
| 4 |
5 |
|
A |
32 |
8 |
13795 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
30 |
7 |
13522 |
288.3 |
0.5 |
0.682 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
23 |
6 |
13795 |
x |
A |
x,y,z-1 |
1_554 |
31 |
7 |
13795 |
230.3 |
-0.3 |
0.655 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
19 |
5 |
13795 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
22 |
7 |
13522 |
190.4 |
1.3 |
0.775 |
4 |
1 |
0 |
0.000 |
| 7 |
8 |
|
[NAI]B:301 |
14 |
1 |
860 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
13795 |
135.1 |
-3.2 |
0.307 |
0 |
0 |
0 |
0.024 |
9 |
|
[NAI]A:301 |
13 |
1 |
865 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
13522 |
135.0 |
-3.1 |
0.313 |
0 |
0 |
0 |
0.024 |
| Average: |
135.1 |
-3.1 |
0.310 |
0 |
0 |
0 |
0.024 |
| 8 |
10 |
|
[CAC]B:302 |
4 |
1 |
236 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
13795 |
98.9 |
3.3 |
0.406 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[CAC]A:302 |
5 |
1 |
236 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
13522 |
93.0 |
3.2 |
0.279 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[CAC]A:302 |
5 |
1 |
236 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
13795 |
77.7 |
2.5 |
0.194 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13522 |
53.0 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.177 |
14 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13795 |
50.6 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.177 |
| Average: |
51.8 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.177 |
| 12 |
15 |
|
[CAC]B:302 |
4 |
1 |
236 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
13522 |
51.4 |
2.5 |
0.227 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
B |
6 |
2 |
13522 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
13522 |
47.6 |
0.6 |
0.780 |
1 |
1 |
0 |
0.000 |
| 14 |
17 |
|
A |
6 |
4 |
13795 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
13795 |
44.3 |
0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[ZN]B:304 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
13522 |
44.0 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.075 |
| 16 |
19 |
|
[ZN]A:305 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
13795 |
41.0 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.125 |
20 |
|
[ZN]A:304 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
13522 |
35.9 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.125 |
| Average: |
38.5 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.125 |
| 17 |
21 |
|
[ZN]A:306 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13795 |
38.2 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.068 |
| 18 |
22 |
|
B |
3 |
1 |
13522 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
6 |
1 |
13795 |
35.3 |
-0.5 |
0.437 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[ZN]A:305 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13522 |
33.1 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.107 |
24 |
|
[ZN]A:304 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
13795 |
30.8 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
31.9 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.107 |
| 20 |
25 |
|
A |
3 |
1 |
13795 |
◊ |
[ZN]B:304 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
28.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| 21 |
26 |
|
B |
4 |
1 |
13522 |
x |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
13522 |
27.1 |
0.9 |
0.697 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
A |
4 |
1 |
13795 |
◊ |
[NAI]B:301 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
860 |
22.2 |
0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[ZN]B:303 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
13795 |
20.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.054 |
29 |
|
[ZN]A:303 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13522 |
16.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
18.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.054 |
| 24 |
30 |
|
A |
1 |
1 |
13795 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
13522 |
18.8 |
0.4 |
0.379 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[ZN]A:304 |
1 |
1 |
98 |
f |
[CAC]B:302 |
x,y,z |
1_555 |
4 |
1 |
236 |
17.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.025 |
| 26 |
32 |
|
[ZN]A:303 |
1 |
1 |
98 |
◊ |
[CAC]B:302 |
x,y,z |
1_555 |
1 |
1 |
236 |
16.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.042 |
33 |
|
[ZN]B:303 |
1 |
1 |
98 |
◊ |
[CAC]A:302 |
x,y,z |
1_555 |
1 |
1 |
236 |
15.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
15.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.042 |
| 27 |
34 |
|
[ZN]A:304 |
1 |
1 |
98 |
◊ |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.036 |
| 28 |
35 |
|
A |
1 |
1 |
13795 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
13795 |
10.3 |
0.8 |
0.934 |
0 |
0 |
0 |
0.000 |
| 29 |
36 |
|
[ZN]B:303 |
1 |
1 |
98 |
◊ |
[ZN]A:305 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.021 |
| 30 |
37 |
|
[ZN]A:305 |
1 |
1 |
98 |
f |
[CAC]A:302 |
x,y,z |
1_555 |
1 |
1 |
236 |
4.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| 31 |
38 |
|
B |
1 |
1 |
13522 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
13795 |
0.9 |
-0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
|