## |
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 |
81 |
22 |
4325 |
◊ |
A |
-x,y,-z+1 |
2_556 |
84 |
23 |
4368 |
883.0 |
-18.6 |
0.550 |
1 |
2 |
0 |
0.212 |
2 |
|
B |
85 |
22 |
4369 |
◊ |
B |
-x,y,-z+1 |
2_556 |
85 |
23 |
4369 |
869.4 |
-20.7 |
0.446 |
0 |
0 |
0 |
0.212 |
Average: |
876.2 |
-19.7 |
0.498 |
1 |
1 |
0 |
0.212 |
2 |
3 |
|
A |
37 |
14 |
4368 |
◊ |
A |
-x,y,-z |
2_555 |
36 |
14 |
4368 |
476.5 |
-13.8 |
0.155 |
0 |
0 |
0 |
0.162 |
4 |
|
B |
38 |
14 |
4369 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
37 |
14 |
4325 |
441.0 |
-12.7 |
0.210 |
0 |
0 |
0 |
0.162 |
Average: |
458.8 |
-13.2 |
0.182 |
0 |
0 |
0 |
0.162 |
3 |
5 |
|
C |
51 |
14 |
4325 |
◊ |
C |
-x,y,-z+1 |
2_556 |
51 |
14 |
4325 |
459.9 |
6.2 |
0.997 |
8 |
14 |
0 |
0.003 |
6 |
|
B |
51 |
16 |
4369 |
◊ |
A |
-x,y,-z+1 |
2_556 |
50 |
16 |
4368 |
445.8 |
3.6 |
0.988 |
5 |
12 |
0 |
0.003 |
Average: |
452.9 |
4.9 |
0.993 |
7 |
13 |
0 |
0.003 |
4 |
7 |
|
B |
4 |
2 |
4369 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
4368 |
39.6 |
-0.7 |
0.497 |
0 |
0 |
0 |
0.009 |
8 |
|
C |
3 |
2 |
4325 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
4368 |
30.6 |
-0.6 |
0.575 |
0 |
0 |
0 |
0.009 |
9 |
|
C |
2 |
1 |
4325 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
4369 |
23.1 |
-0.6 |
0.489 |
0 |
0 |
0 |
0.009 |
Average: |
31.1 |
-0.6 |
0.520 |
0 |
0 |
0 |
0.009 |
5 |
10 |
|
[ZN]B:1050 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
4369 |
37.5 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.410 |
11 |
|
[ZN]C:1050 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
4325 |
36.2 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.410 |
12 |
|
[ZN]A:1050 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
4368 |
35.6 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.410 |
Average: |
36.4 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.410 |
6 |
13 |
|
[ZN]B:1049 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
4369 |
37.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.461 |
14 |
|
[ZN]C:1049 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
4325 |
35.6 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.461 |
15 |
|
[ZN]A:1049 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
6 |
3 |
4368 |
35.0 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.461 |
Average: |
35.9 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.461 |
7 |
16 |
|
[ZN]B:1049 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z+1 |
2_556 |
7 |
2 |
4368 |
36.4 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.311 |
17 |
|
[ZN]C:1049 |
1 |
1 |
98 |
◊ |
C |
-x,y,-z+1 |
2_556 |
8 |
3 |
4325 |
33.5 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.311 |
18 |
|
[ZN]A:1049 |
1 |
1 |
98 |
c |
B |
-x,y,-z+1 |
2_556 |
7 |
3 |
4369 |
32.9 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.311 |
Average: |
34.3 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.311 |
8 |
19 |
|
[ZN]A:1050 |
1 |
1 |
98 |
◊ |
B |
-x,y,-z+1 |
2_556 |
2 |
1 |
4369 |
26.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.139 |
20 |
|
[ZN]B:1050 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z+1 |
2_556 |
2 |
1 |
4368 |
16.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.139 |
21 |
|
[ZN]C:1050 |
1 |
1 |
98 |
◊ |
C |
-x,y,-z+1 |
2_556 |
1 |
1 |
4325 |
1.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.139 |
Average: |
14.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.139 |
9 |
22 |
|
[ZN]A:1050 |
1 |
1 |
98 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
2 |
4369 |
23.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
C |
1 |
1 |
4325 |
◊ |
[ZN]B:1050 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
98 |
5.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
14.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.000 |
10 |
24 |
|
A |
3 |
1 |
4368 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
4369 |
20.2 |
0.7 |
0.826 |
1 |
1 |
0 |
0.000 |
25 |
|
A |
1 |
1 |
4368 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
4 |
2 |
4325 |
18.9 |
0.4 |
0.768 |
0 |
0 |
0 |
0.000 |
26 |
|
C |
2 |
1 |
4325 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
4369 |
3.0 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
Average: |
14.1 |
0.4 |
0.733 |
0 |
0 |
0 |
0.000 |
11 |
27 |
|
A |
1 |
1 |
4368 |
◊ |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
1 |
1 |
4325 |
11.3 |
0.8 |
0.946 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
5 |
4 |
4369 |
◊ |
B |
-x,y,-z+2 |
2_557 |
5 |
4 |
4369 |
9.8 |
0.2 |
0.805 |
0 |
0 |
0 |
0.000 |
Average: |
10.5 |
0.5 |
0.876 |
0 |
0 |
0 |
0.000 |
12 |
29 |
|
[ZN]A:1049 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
4369 |
9.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.023 |
30 |
|
[ZN]C:1049 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4368 |
4.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
6.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.023 |
|