## |
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 |
|
C |
41 |
6 |
898 |
◊ |
A |
x,y,z |
1_555 |
88 |
33 |
9447 |
566.7 |
-7.2 |
0.377 |
8 |
2 |
0 |
0.206 |
2 |
|
D |
40 |
6 |
910 |
◊ |
B |
x,y,z |
1_555 |
84 |
32 |
9412 |
548.8 |
-8.0 |
0.303 |
7 |
0 |
0 |
0.206 |
Average: |
557.7 |
-7.6 |
0.340 |
8 |
1 |
0 |
0.206 |
2 |
3 |
|
B |
61 |
17 |
9412 |
x |
B |
-x,y-1/2,-z |
2_545 |
62 |
15 |
9412 |
522.3 |
0.7 |
0.618 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
52 |
15 |
9447 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
57 |
15 |
9447 |
467.3 |
0.7 |
0.675 |
3 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
35 |
12 |
9412 |
◊ |
A |
x-1,y,z |
1_455 |
32 |
10 |
9447 |
303.9 |
-2.2 |
0.371 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
35 |
13 |
9412 |
x |
B |
x-1,y,z |
1_455 |
33 |
10 |
9412 |
285.6 |
-2.4 |
0.309 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
30 |
9 |
9412 |
x |
B |
x,y-1,z |
1_545 |
29 |
11 |
9412 |
275.7 |
0.8 |
0.662 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
27 |
10 |
9447 |
x |
A |
x,y-1,z |
1_545 |
29 |
10 |
9447 |
255.9 |
-0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
B |
29 |
7 |
9412 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
9447 |
252.2 |
-0.8 |
0.522 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
[LPD]C:7 |
8 |
1 |
266 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
9447 |
153.7 |
-2.4 |
0.379 |
0 |
0 |
0 |
0.044 |
11 |
|
[LPD]D:7 |
8 |
1 |
263 |
◊ |
B |
x,y,z |
1_555 |
29 |
9 |
9412 |
133.8 |
-2.2 |
0.359 |
0 |
0 |
0 |
0.044 |
Average: |
143.7 |
-2.3 |
0.369 |
0 |
0 |
0 |
0.044 |
10 |
12 |
|
A |
17 |
5 |
9447 |
x |
A |
x-1,y,z |
1_455 |
14 |
4 |
9447 |
147.5 |
-0.6 |
0.456 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[ACE]C:0 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
898 |
62.2 |
-0.1 |
0.860 |
0 |
0 |
0 |
0.010 |
12 |
14 |
|
[ACE]D:0 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
6 |
2 |
910 |
62.1 |
-0.2 |
0.860 |
0 |
0 |
0 |
0.014 |
13 |
15 |
|
[LPD]C:7 |
7 |
1 |
266 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
898 |
61.7 |
-0.6 |
0.632 |
1 |
0 |
0 |
0.090 |
16 |
|
[LPD]D:7 |
7 |
1 |
263 |
cf |
D |
x,y,z |
1_555 |
5 |
2 |
910 |
57.8 |
-0.5 |
0.627 |
1 |
0 |
0 |
0.090 |
Average: |
59.7 |
-0.6 |
0.629 |
1 |
0 |
0 |
0.090 |
14 |
17 |
|
[LPD]D:7 |
6 |
1 |
263 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
9447 |
54.1 |
-0.6 |
0.398 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
A |
5 |
1 |
9447 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
898 |
49.7 |
-0.2 |
0.655 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9447 |
46.7 |
-0.4 |
0.710 |
0 |
0 |
0 |
0.007 |
17 |
20 |
|
B |
3 |
2 |
9412 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
9412 |
45.5 |
0.1 |
0.463 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[ACE]D:0 |
3 |
1 |
171 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
9412 |
41.6 |
-0.6 |
0.576 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[ACE]D:0 |
3 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
9412 |
40.3 |
-0.4 |
0.711 |
0 |
0 |
0 |
0.008 |
20 |
23 |
|
A |
5 |
1 |
9447 |
◊ |
[ACE]C:0 |
x-1,y,z |
1_455 |
3 |
1 |
171 |
40.0 |
-0.5 |
0.537 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[ZN]A:301 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
9447 |
35.7 |
-24.5 |
0.000 |
0 |
0 |
0 |
0.452 |
25 |
|
[ZN]B:301 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
9412 |
35.5 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.452 |
Average: |
35.6 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.452 |
22 |
26 |
|
[ZN]B:301 |
1 |
1 |
98 |
c |
D |
x,y,z |
1_555 |
7 |
4 |
910 |
33.1 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.287 |
27 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
898 |
32.3 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.287 |
Average: |
32.7 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.287 |
23 |
28 |
|
D |
4 |
1 |
910 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
9412 |
28.6 |
1.3 |
0.872 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
D |
3 |
2 |
910 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
9412 |
21.8 |
-0.4 |
0.409 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
B |
2 |
2 |
9412 |
◊ |
[LPD]C:7 |
x-1,y,z |
1_455 |
4 |
1 |
266 |
19.2 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[ACE]D:0 |
2 |
1 |
171 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
9412 |
14.4 |
0.3 |
0.898 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
D |
2 |
1 |
910 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
9447 |
4.4 |
-0.1 |
0.530 |
0 |
0 |
0 |
0.000 |
|