| ## |
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 |
165 |
45 |
12107 |
◊ |
A |
x,y,z |
1_555 |
166 |
45 |
12656 |
1630.4 |
-17.4 |
0.072 |
26 |
4 |
0 |
0.086 |
| 2 |
2 |
|
B |
47 |
13 |
12107 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
51 |
16 |
12656 |
417.9 |
0.4 |
0.648 |
4 |
3 |
0 |
0.000 |
| 3 |
3 |
|
A |
37 |
12 |
12656 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
38 |
12 |
12656 |
335.7 |
2.3 |
0.827 |
8 |
4 |
0 |
0.003 |
| 4 |
4 |
|
[13P]B:321 |
10 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
29 |
14 |
12107 |
166.1 |
-3.1 |
0.477 |
13 |
0 |
0 |
0.030 |
| 5 |
5 |
|
[13P]A:321 |
10 |
1 |
304 |
f |
A |
x,y,z |
1_555 |
28 |
13 |
12656 |
164.6 |
-3.0 |
0.501 |
12 |
0 |
0 |
0.028 |
| 6 |
6 |
|
B |
18 |
4 |
12107 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
17 |
5 |
12656 |
158.6 |
-0.7 |
0.478 |
4 |
3 |
0 |
0.000 |
| 7 |
7 |
|
[ACT]B:287 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
12107 |
89.8 |
-0.0 |
0.692 |
1 |
0 |
0 |
0.002 |
| 8 |
8 |
|
B |
12 |
4 |
12107 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
9 |
3 |
12656 |
87.4 |
1.7 |
0.845 |
2 |
2 |
0 |
0.000 |
| 9 |
9 |
|
[ACT]A:288 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
12656 |
79.4 |
-0.1 |
0.736 |
1 |
0 |
0 |
0.002 |
| 10 |
10 |
|
[ACT]A:287 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
12656 |
79.3 |
0.3 |
0.742 |
1 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[ACT]B:288 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
12107 |
79.1 |
-0.2 |
0.653 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
B |
9 |
2 |
12107 |
◊ |
B |
-x,-x+y,-z+1/3 |
6_555 |
9 |
2 |
12107 |
55.0 |
0.9 |
0.765 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12656 |
51.7 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.087 |
| 14 |
14 |
|
[NA]A:310 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
12656 |
50.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.067 |
15 |
|
[NA]B:311 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
12107 |
50.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.067 |
| Average: |
50.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.067 |
| 15 |
16 |
|
[ZN]A:304 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12656 |
49.8 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.099 |
| 16 |
17 |
|
[ZN]A:286 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12656 |
43.1 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.081 |
| 17 |
18 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12656 |
40.5 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.101 |
19 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
12107 |
34.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
37.3 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.101 |
| 18 |
20 |
|
[ZN]B:286 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
12107 |
39.5 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.062 |
| 19 |
21 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
12107 |
38.2 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.187 |
22 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
12656 |
37.6 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.187 |
| Average: |
37.9 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.187 |
| 20 |
23 |
|
[ZN]B:302 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
12107 |
36.6 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.088 |
24 |
|
[ZN]A:303 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
12656 |
28.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.088 |
| Average: |
32.4 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.088 |
| 21 |
25 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
12107 |
35.9 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.068 |
| 22 |
26 |
|
[ZN]B:303 |
1 |
1 |
98 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
7 |
3 |
12656 |
34.8 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[ZN]B:305 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12107 |
30.6 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
32.7 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
B |
3 |
1 |
12107 |
◊ |
[ZN]A:286 |
x-y,-y+1,-z+2/3 |
5_565 |
1 |
1 |
98 |
33.1 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[ACT]B:288 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12656 |
32.2 |
0.7 |
0.847 |
1 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[ZN]A:303 |
1 |
1 |
98 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
6 |
2 |
12656 |
31.5 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.046 |
| 26 |
31 |
|
[ACT]A:288 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12107 |
28.7 |
0.7 |
0.789 |
1 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[13P]A:321 |
3 |
1 |
304 |
f |
[NA]A:310 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.014 |
| 28 |
33 |
|
[13P]B:321 |
3 |
1 |
303 |
f |
[NA]B:311 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.013 |
| 29 |
34 |
|
[13P]A:321 |
4 |
1 |
304 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.038 |
| 30 |
35 |
|
[ZN]B:305 |
1 |
1 |
98 |
f |
A |
x-y,-y+1,-z+2/3 |
5_565 |
4 |
1 |
12656 |
26.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.040 |
| 31 |
36 |
|
[13P]B:321 |
4 |
1 |
303 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.037 |
| 32 |
37 |
|
[ZN]A:302 |
1 |
1 |
98 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
1 |
1 |
12656 |
6.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.007 |
|