| ## |
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 |
|
A |
89 |
28 |
14516 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
90 |
28 |
14527 |
795.7 |
-8.4 |
0.283 |
6 |
0 |
0 |
0.004 |
| 2 |
2 |
|
B |
41 |
11 |
14527 |
◊ |
A |
x-1,y,z-1 |
1_454 |
47 |
13 |
14516 |
363.8 |
-1.6 |
0.533 |
4 |
5 |
0 |
0.000 |
3 |
|
B |
44 |
13 |
14527 |
◊ |
A |
x-1,y,z |
1_455 |
38 |
10 |
14516 |
358.8 |
-1.9 |
0.482 |
4 |
4 |
0 |
0.000 |
| Average: |
361.3 |
-1.8 |
0.507 |
4 |
5 |
0 |
0.000 |
| 3 |
4 |
|
[B3N]B:501 |
20 |
1 |
571 |
f |
B |
x,y,z |
1_555 |
40 |
15 |
14527 |
258.3 |
2.2 |
0.395 |
3 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[B3N]A:500 |
19 |
1 |
573 |
f |
A |
x,y,z |
1_555 |
40 |
14 |
14516 |
257.6 |
1.1 |
0.354 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
22 |
5 |
14516 |
◊ |
[B3N]B:501 |
-x,y-1/2,-z |
2_545 |
13 |
1 |
571 |
141.0 |
-1.0 |
0.221 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[BME]B:600 |
4 |
1 |
205 |
f |
B |
x,y,z |
1_555 |
31 |
14 |
14527 |
134.9 |
-0.4 |
0.542 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[B3N]A:500 |
13 |
1 |
573 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
18 |
5 |
14527 |
134.6 |
-1.5 |
0.191 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[BME]A:601 |
4 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
33 |
16 |
14516 |
129.7 |
-0.3 |
0.568 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[K]A:406 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
14516 |
113.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.073 |
11 |
|
[K]B:403 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
14527 |
113.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
113.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.073 |
| 10 |
12 |
|
A |
8 |
3 |
14516 |
x |
A |
x-1,y,z |
1_455 |
12 |
4 |
14516 |
81.9 |
0.1 |
0.637 |
2 |
2 |
0 |
0.000 |
| 11 |
13 |
|
B |
9 |
4 |
14527 |
x |
B |
x-1,y,z |
1_455 |
8 |
2 |
14527 |
74.9 |
-0.8 |
0.350 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[B3N]A:500 |
9 |
1 |
573 |
◊ |
[B3N]B:501 |
-x,y-1/2,-z |
2_545 |
13 |
1 |
571 |
68.8 |
1.1 |
0.252 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
14527 |
35.4 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.017 |
16 |
|
[ZN]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
14516 |
33.2 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
34.3 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 14 |
17 |
|
[BME]A:601 |
3 |
1 |
205 |
f |
[B3N]A:500 |
x,y,z |
1_555 |
5 |
1 |
573 |
34.0 |
0.2 |
0.430 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[B3N]B:501 |
3 |
1 |
571 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.009 |
19 |
|
[B3N]A:500 |
4 |
1 |
573 |
f |
[ZN]A:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.8 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
29.4 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.009 |
| 16 |
20 |
|
[BME]B:600 |
1 |
1 |
205 |
f |
[B3N]B:501 |
x,y,z |
1_555 |
5 |
1 |
571 |
26.6 |
-0.4 |
0.336 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
B |
5 |
2 |
14527 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
5 |
2 |
14527 |
20.2 |
-0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[BME]A:601 |
2 |
1 |
205 |
f |
[ZN]A:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 19 |
23 |
|
[B3N]B:501 |
1 |
1 |
571 |
f |
[K]B:402 |
x,y,z |
1_555 |
1 |
1 |
216 |
1.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
[B3N]A:500 |
1 |
1 |
573 |
f |
[K]A:405 |
x,y,z |
1_555 |
1 |
1 |
216 |
0.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
0.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|