## |
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 |
34 |
11 |
4199 |
◊ |
A |
x,y-1,z |
1_545 |
33 |
11 |
4203 |
355.8 |
-3.3 |
0.210 |
3 |
2 |
0 |
0.000 |
2 |
2 |
|
B |
38 |
12 |
4349 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
4203 |
295.3 |
-3.6 |
0.172 |
2 |
0 |
0 |
0.035 |
3 |
3 |
|
A |
30 |
8 |
4203 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
28 |
7 |
4199 |
256.2 |
2.5 |
0.764 |
5 |
2 |
0 |
0.000 |
4 |
|
C |
25 |
8 |
4199 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
25 |
7 |
4349 |
243.5 |
1.6 |
0.712 |
3 |
0 |
0 |
0.000 |
5 |
|
A |
26 |
8 |
4203 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
25 |
8 |
4349 |
232.7 |
1.2 |
0.646 |
4 |
0 |
0 |
0.000 |
Average: |
244.1 |
1.8 |
0.707 |
4 |
1 |
0 |
0.000 |
4 |
6 |
|
C |
30 |
8 |
4199 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
27 |
8 |
4349 |
235.1 |
1.5 |
0.698 |
3 |
1 |
0 |
0.000 |
7 |
|
A |
25 |
9 |
4203 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
8 |
4349 |
196.5 |
0.3 |
0.538 |
2 |
3 |
0 |
0.000 |
Average: |
215.8 |
0.9 |
0.618 |
3 |
2 |
0 |
0.000 |
5 |
8 |
|
C |
18 |
8 |
4199 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
27 |
9 |
4349 |
233.2 |
-0.2 |
0.434 |
1 |
1 |
0 |
0.025 |
9 |
|
C |
30 |
11 |
4199 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
4203 |
230.4 |
-0.9 |
0.300 |
2 |
1 |
0 |
0.025 |
10 |
|
A |
29 |
10 |
4203 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
19 |
6 |
4349 |
216.8 |
0.1 |
0.533 |
2 |
1 |
0 |
0.025 |
Average: |
226.8 |
-0.3 |
0.422 |
2 |
1 |
0 |
0.025 |
6 |
11 |
|
C |
26 |
8 |
4199 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
19 |
5 |
4203 |
183.5 |
0.9 |
0.643 |
5 |
5 |
0 |
0.000 |
7 |
12 |
|
[EDO]C:104 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
4199 |
105.7 |
2.8 |
0.342 |
2 |
0 |
0 |
0.000 |
8 |
13 |
|
C |
10 |
4 |
4199 |
◊ |
B |
x,y-1,z |
1_545 |
9 |
3 |
4349 |
95.0 |
-1.7 |
0.224 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[ACT]B:103 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
4349 |
85.6 |
-0.3 |
0.542 |
2 |
0 |
0 |
0.009 |
10 |
15 |
|
[ACT]C:103 |
4 |
1 |
183 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
16 |
5 |
4349 |
74.3 |
-0.2 |
0.652 |
0 |
0 |
0 |
0.001 |
11 |
16 |
|
[EDO]A:103 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
4203 |
49.5 |
1.4 |
0.847 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]A:103 |
4 |
1 |
186 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
4 |
4349 |
42.7 |
1.2 |
0.859 |
2 |
0 |
0 |
0.000 |
13 |
18 |
|
[ZN]B:101 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
4349 |
38.8 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.289 |
19 |
|
[ZN]B:101 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
4203 |
33.1 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.289 |
Average: |
35.9 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.289 |
14 |
20 |
|
[ZN]B:102 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
4349 |
37.4 |
-21.3 |
0.000 |
0 |
0 |
0 |
0.419 |
21 |
|
[ZN]C:101 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
7 |
4 |
4199 |
36.9 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.419 |
22 |
|
[ZN]A:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
4203 |
36.1 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.419 |
Average: |
36.8 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.419 |
15 |
23 |
|
[ZN]A:101 |
1 |
1 |
98 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
4349 |
35.0 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
[ZN]C:101 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
6 |
2 |
4203 |
33.6 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
6 |
2 |
4199 |
c |
[ZN]B:102 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
98 |
33.2 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
33.9 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
[ACT]B:103 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
4203 |
34.0 |
0.6 |
0.814 |
0 |
0 |
0 |
0.000 |
17 |
27 |
|
[EDO]A:103 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
4199 |
33.4 |
1.3 |
0.913 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
[ZN]A:102 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
4203 |
30.8 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.230 |
29 |
|
[ZN]C:102 |
1 |
1 |
98 |
f |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
4 |
4349 |
27.9 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.230 |
Average: |
29.4 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.230 |
19 |
30 |
|
[ACT]C:103 |
3 |
1 |
183 |
f |
[EDO]A:103 |
x,y,z |
1_555 |
3 |
1 |
186 |
26.5 |
0.8 |
0.935 |
1 |
0 |
0 |
0.000 |
20 |
31 |
|
[EDO]A:103 |
3 |
1 |
186 |
cf |
[ZN]A:102 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.082 |
21 |
32 |
|
[ZN]A:102 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
4349 |
23.2 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.128 |
33 |
|
[ZN]C:102 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4199 |
21.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.128 |
Average: |
22.5 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.128 |
22 |
34 |
|
[ACT]C:103 |
3 |
1 |
183 |
◊ |
[ZN]C:102 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.057 |
23 |
35 |
|
[ACT]C:103 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4199 |
22.1 |
0.4 |
0.806 |
0 |
0 |
0 |
0.000 |
24 |
36 |
|
[EDO]A:103 |
3 |
1 |
186 |
◊ |
[ZN]C:102 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.050 |
25 |
37 |
|
[EDO]C:104 |
2 |
1 |
185 |
f |
B |
x,y-1,z |
1_545 |
3 |
1 |
4349 |
17.7 |
0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
[EDO]C:104 |
4 |
1 |
185 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
2 |
4203 |
14.6 |
0.3 |
0.777 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[ZN]A:101 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4199 |
11.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.060 |
40 |
|
[ZN]C:101 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
4349 |
9.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.060 |
41 |
|
A |
1 |
1 |
4203 |
◊ |
[ZN]B:102 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
98 |
6.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
9.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.060 |
28 |
42 |
|
[ACT]B:103 |
1 |
1 |
182 |
f |
[ZN]B:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
29 |
43 |
|
[ACT]C:103 |
1 |
1 |
183 |
f |
[ZN]A:102 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.020 |
30 |
44 |
|
C |
1 |
1 |
4199 |
x |
C |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
4199 |
2.9 |
0.1 |
0.708 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
[ACT]C:103 |
1 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
4203 |
0.1 |
0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
|