| ## |
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 |
95 |
25 |
11545 |
◊ |
A |
x,y,z |
1_555 |
95 |
27 |
11494 |
878.2 |
3.1 |
0.763 |
24 |
16 |
0 |
0.000 |
| 2 |
2 |
|
A |
47 |
14 |
11494 |
x |
A |
x-1,y,z |
1_455 |
45 |
13 |
11494 |
366.9 |
-0.9 |
0.509 |
3 |
2 |
0 |
0.000 |
3 |
|
B |
46 |
12 |
11545 |
x |
B |
x-1,y,z |
1_455 |
49 |
14 |
11545 |
365.5 |
0.2 |
0.566 |
4 |
5 |
0 |
0.000 |
| Average: |
366.2 |
-0.3 |
0.537 |
4 |
4 |
0 |
0.000 |
| 3 |
4 |
|
A |
36 |
16 |
11494 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
19 |
7 |
11545 |
272.9 |
2.0 |
0.775 |
5 |
6 |
0 |
0.000 |
| 4 |
5 |
|
A |
14 |
5 |
11494 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
9 |
11545 |
180.7 |
0.4 |
0.623 |
2 |
4 |
0 |
0.000 |
| 5 |
6 |
|
B |
16 |
5 |
11545 |
◊ |
A |
x,y,z-1 |
1_554 |
18 |
8 |
11494 |
171.8 |
1.2 |
0.696 |
1 |
2 |
0 |
0.000 |
| 6 |
7 |
|
[EDO]A:404 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
11494 |
110.8 |
3.8 |
0.458 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[EDO]B:403 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
11545 |
105.2 |
3.1 |
0.415 |
3 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]B:405 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
11545 |
104.8 |
3.1 |
0.455 |
3 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[EDO]B:402 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
11545 |
102.1 |
3.5 |
0.481 |
5 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]B:410 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
11545 |
101.0 |
3.3 |
0.461 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]B:404 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
11545 |
100.8 |
2.9 |
0.464 |
3 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]B:407 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
11545 |
100.1 |
2.9 |
0.410 |
2 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]A:403 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
11494 |
97.7 |
3.3 |
0.487 |
4 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]A:407 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
11494 |
96.8 |
1.5 |
0.310 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]A:405 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
11494 |
94.4 |
3.2 |
0.408 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]B:408 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
11545 |
92.9 |
2.1 |
0.217 |
4 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]B:406 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
11545 |
87.2 |
2.9 |
0.287 |
2 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[EDO]A:402 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
11494 |
86.6 |
2.9 |
0.288 |
2 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[EDO]A:406 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11494 |
81.7 |
2.7 |
0.502 |
1 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[EDO]A:408 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11494 |
73.5 |
2.4 |
0.527 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[EDO]B:409 |
4 |
1 |
185 |
f |
B |
x-1,y,z |
1_455 |
12 |
4 |
11545 |
72.8 |
1.1 |
0.643 |
2 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[EDO]B:409 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11545 |
65.1 |
2.1 |
0.275 |
1 |
0 |
0 |
0.000 |
| 23 |
24 |
|
A |
8 |
3 |
11494 |
◊ |
B |
-x,y-1/2,-z+2 |
2_547 |
4 |
1 |
11545 |
58.2 |
1.3 |
0.858 |
1 |
2 |
0 |
0.000 |
| 24 |
25 |
|
[EDO]A:405 |
3 |
1 |
184 |
f |
B |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
3 |
11545 |
42.9 |
0.5 |
0.538 |
1 |
0 |
0 |
0.000 |
| 25 |
26 |
|
A |
5 |
4 |
11494 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
5 |
3 |
11545 |
42.6 |
0.2 |
0.641 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11545 |
41.1 |
-31.8 |
0.000 |
0 |
0 |
0 |
0.101 |
28 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
11494 |
36.9 |
-28.4 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
39.0 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.101 |
| 27 |
29 |
|
[EDO]B:410 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
11494 |
39.5 |
1.5 |
0.948 |
1 |
0 |
0 |
0.000 |
| 28 |
30 |
|
A |
2 |
2 |
11494 |
x |
A |
-x+1,y-1/2,-z+2 |
2_647 |
8 |
4 |
11494 |
38.1 |
0.9 |
0.631 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[EDO]A:408 |
3 |
1 |
183 |
f |
[EDO]A:403 |
x,y,z |
1_555 |
4 |
1 |
186 |
22.4 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[EDO]A:406 |
1 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
8 |
3 |
11545 |
22.1 |
0.2 |
0.748 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[EDO]A:403 |
1 |
1 |
186 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.027 |
| 32 |
34 |
|
[EDO]B:402 |
1 |
1 |
184 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.022 |
| 33 |
35 |
|
[EDO]B:406 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
11494 |
18.2 |
0.9 |
0.911 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[EDO]B:403 |
2 |
1 |
184 |
f |
[EDO]B:402 |
x,y,z |
1_555 |
2 |
1 |
184 |
17.4 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[EDO]A:404 |
1 |
1 |
185 |
f |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
11545 |
11.9 |
0.5 |
0.925 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
B |
1 |
1 |
11545 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
11545 |
9.7 |
0.3 |
0.852 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
A |
1 |
1 |
11494 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
11545 |
8.4 |
0.6 |
0.929 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[EDO]A:408 |
2 |
1 |
183 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.009 |
| 39 |
41 |
|
[EDO]A:402 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
11545 |
7.9 |
0.3 |
0.841 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[EDO]A:406 |
1 |
1 |
185 |
◊ |
[EDO]A:405 |
x,y,z |
1_555 |
2 |
1 |
184 |
6.6 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
A |
1 |
1 |
11494 |
f |
[EDO]B:407 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
183 |
6.0 |
0.2 |
0.880 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
[EDO]B:408 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
11494 |
5.8 |
0.4 |
0.863 |
0 |
0 |
0 |
0.000 |
| 43 |
45 |
|
A |
1 |
1 |
11494 |
f |
[EDO]B:405 |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
185 |
5.1 |
0.1 |
0.895 |
0 |
0 |
0 |
0.000 |
|