## |
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 |
110 |
32 |
12359 |
◊ |
A |
x,y,z |
1_555 |
108 |
32 |
12477 |
1028.4 |
-10.0 |
0.193 |
12 |
3 |
0 |
0.168 |
2 |
|
B |
105 |
30 |
12464 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
105 |
30 |
12464 |
1016.3 |
-10.0 |
0.208 |
12 |
6 |
0 |
0.168 |
Average: |
1022.3 |
-10.0 |
0.201 |
12 |
5 |
0 |
0.168 |
2 |
3 |
|
C |
30 |
11 |
12359 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
24 |
7 |
12464 |
290.2 |
-4.9 |
0.128 |
1 |
2 |
0 |
0.019 |
3 |
4 |
|
C |
31 |
10 |
12359 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
28 |
10 |
12477 |
278.1 |
1.6 |
0.730 |
5 |
3 |
0 |
0.004 |
4 |
5 |
|
B |
23 |
8 |
12464 |
◊ |
A |
x,y,z |
1_555 |
31 |
12 |
12477 |
262.1 |
-0.1 |
0.610 |
4 |
5 |
0 |
0.009 |
5 |
6 |
|
[AM1]C:1702 |
15 |
1 |
363 |
f |
C |
x,y,z |
1_555 |
41 |
16 |
12359 |
241.2 |
2.5 |
0.493 |
12 |
0 |
0 |
0.066 |
7 |
|
[AM1]A:1700 |
15 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
38 |
16 |
12477 |
240.1 |
2.4 |
0.456 |
13 |
0 |
0 |
0.066 |
8 |
|
[AM1]B:1701 |
15 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
39 |
16 |
12464 |
239.6 |
2.4 |
0.487 |
13 |
0 |
0 |
0.066 |
Average: |
240.3 |
2.4 |
0.479 |
13 |
0 |
0 |
0.066 |
6 |
9 |
|
A |
25 |
11 |
12477 |
x |
A |
x,y,z-1 |
1_554 |
22 |
10 |
12477 |
170.7 |
-0.4 |
0.558 |
0 |
0 |
0 |
0.000 |
10 |
|
B |
28 |
13 |
12464 |
x |
B |
x,y,z-1 |
1_554 |
23 |
9 |
12464 |
158.8 |
-0.9 |
0.536 |
0 |
0 |
0 |
0.000 |
11 |
|
C |
24 |
11 |
12359 |
x |
C |
x,y,z-1 |
1_554 |
21 |
9 |
12359 |
158.4 |
-0.9 |
0.512 |
0 |
0 |
0 |
0.000 |
Average: |
162.6 |
-0.7 |
0.535 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
C |
10 |
3 |
12359 |
◊ |
A |
-x+1,-y,z |
2_655 |
12 |
4 |
12477 |
129.9 |
-1.3 |
0.132 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
A |
11 |
3 |
12477 |
◊ |
B |
-x+3/2,y-1/2,-z+2 |
3_647 |
12 |
4 |
12464 |
107.2 |
1.2 |
0.778 |
3 |
3 |
0 |
0.003 |
9 |
14 |
|
[ACT]B:1703 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12464 |
84.2 |
-0.4 |
0.652 |
1 |
0 |
0 |
0.006 |
10 |
15 |
|
C |
7 |
2 |
12359 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12464 |
83.8 |
-1.6 |
0.186 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[ZN]C:1708 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
12359 |
49.9 |
-31.2 |
0.000 |
0 |
0 |
0 |
0.539 |
17 |
|
[ZN]B:1707 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12464 |
41.1 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.539 |
18 |
|
[ZN]A:1705 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12477 |
35.2 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.539 |
Average: |
42.1 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.539 |
12 |
19 |
|
[ZN]B:1709 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
12464 |
48.5 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.186 |
13 |
20 |
|
C |
6 |
3 |
12359 |
f |
[ZN]A:1704 |
x-1/2,-y+1/2,-z+2 |
4_457 |
1 |
1 |
98 |
43.3 |
-21.4 |
0.000 |
0 |
0 |
0 |
0.228 |
14 |
21 |
|
[ZN]B:1706 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12464 |
38.8 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.160 |
15 |
22 |
|
[ZN]A:1704 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12477 |
36.8 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.110 |
23 |
|
C |
6 |
3 |
12359 |
◊ |
[ZN]B:1706 |
x-1/2,-y+1/2,-z+2 |
4_457 |
1 |
1 |
98 |
34.9 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.110 |
Average: |
35.9 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.110 |
16 |
24 |
|
[ZN]B:1711 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12464 |
35.7 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.096 |
17 |
25 |
|
[ZN]A:1705 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
12464 |
33.0 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.049 |
18 |
26 |
|
[ZN]A:1710 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
12464 |
31.7 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.093 |
19 |
27 |
|
A |
3 |
1 |
12477 |
◊ |
[ZN]B:1707 |
-x+3/2,y-1/2,-z+2 |
3_647 |
1 |
1 |
98 |
30.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.074 |
20 |
28 |
|
[ACT]B:1703 |
3 |
1 |
182 |
f |
[ZN]A:1710 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.079 |
21 |
29 |
|
[ZN]B:1711 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12477 |
26.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.034 |
22 |
30 |
|
[ZN]A:1710 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12477 |
22.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.030 |
23 |
31 |
|
C |
2 |
1 |
12359 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
12477 |
20.7 |
1.4 |
0.935 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[ACT]B:1703 |
3 |
1 |
182 |
f |
[ZN]B:1711 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.036 |
25 |
33 |
|
[ZN]B:1711 |
1 |
1 |
98 |
f |
[ZN]A:1710 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.079 |
26 |
34 |
|
[ZN]B:1711 |
1 |
1 |
98 |
◊ |
[ZN]A:1705 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.2 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.035 |
27 |
35 |
|
[ACT]B:1703 |
1 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12477 |
10.1 |
-0.0 |
0.322 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
B |
1 |
1 |
12464 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
2 |
1 |
12477 |
5.6 |
0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
A |
1 |
1 |
12477 |
◊ |
[ZN]B:1709 |
-x+3/2,y-1/2,-z+2 |
3_647 |
1 |
1 |
98 |
0.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|