## |
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 |
|
B |
44 |
11 |
4428 |
◊ |
A |
x,y,z |
1_555 |
47 |
11 |
4438 |
434.9 |
-1.5 |
0.198 |
6 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
35 |
11 |
4428 |
◊ |
B |
-x+3/4,z+1/4,y-1/4 |
18_554 |
35 |
11 |
4428 |
381.6 |
0.0 |
0.528 |
4 |
4 |
0 |
0.000 |
3 |
3 |
|
A |
34 |
9 |
4438 |
◊ |
A |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
33 |
9 |
4438 |
286.4 |
-1.8 |
0.338 |
0 |
4 |
0 |
0.000 |
4 |
4 |
|
B |
31 |
10 |
4428 |
x |
B |
-z+1/2,-x+1,y-1/2 |
7_564 |
25 |
9 |
4428 |
265.6 |
0.9 |
0.571 |
7 |
3 |
0 |
0.000 |
5 |
5 |
|
A |
33 |
10 |
4438 |
◊ |
B |
-y+3/4,x+1/4,z-1/4 |
16_554 |
27 |
7 |
4428 |
240.5 |
0.3 |
0.408 |
3 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
26 |
9 |
4438 |
x |
A |
z+1/2,-x+1/2,-y |
6_555 |
24 |
8 |
4438 |
227.7 |
0.5 |
0.581 |
6 |
3 |
0 |
0.000 |
7 |
7 |
|
[SO4]A:1000 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
4438 |
106.1 |
-15.1 |
0.816 |
3 |
0 |
0 |
0.045 |
8 |
8 |
|
[ACT]A:301 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
4438 |
66.8 |
0.2 |
0.686 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
[CD]A:400 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
4438 |
63.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.018 |
10 |
10 |
|
[ACT]A:101 |
4 |
1 |
184 |
◊ |
A |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
10 |
4 |
4438 |
60.5 |
-0.7 |
0.439 |
2 |
0 |
0 |
0.000 |
11 |
11 |
|
[ACT]A:102 |
4 |
1 |
182 |
◊ |
A |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
10 |
4 |
4438 |
57.8 |
-0.4 |
0.416 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[ACT]A:102 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
4438 |
55.2 |
-0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[CD]B:600 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
4428 |
52.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.032 |
14 |
|
[CD]A:200 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
4438 |
51.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
52.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.032 |
14 |
15 |
|
[CD]B:800 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
4428 |
51.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.031 |
15 |
16 |
|
[CD]B:700 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
4428 |
49.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.032 |
17 |
|
[CD]A:300 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
4438 |
39.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
44.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.032 |
16 |
18 |
|
[ACT]A:101 |
3 |
1 |
184 |
f |
B |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
5 |
2 |
4428 |
36.2 |
-0.9 |
0.410 |
0 |
0 |
0 |
0.005 |
17 |
19 |
|
[ACT]A:101 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
4438 |
35.6 |
1.1 |
0.849 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
B |
3 |
1 |
4428 |
◊ |
[CD]B:700 |
-z+1/2,-x+1,y-1/2 |
7_564 |
1 |
1 |
112 |
35.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
3 |
1 |
4438 |
◊ |
[CD]A:300 |
z+1/2,-x+1/2,-y |
6_555 |
1 |
1 |
112 |
30.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
32.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
A |
4 |
1 |
4438 |
f |
[ACT]A:301 |
z+1/2,-x+1/2,-y |
6_555 |
4 |
1 |
182 |
35.0 |
0.4 |
0.768 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[CD]A:100 |
1 |
1 |
112 |
f |
A |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
9 |
4 |
4438 |
33.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.009 |
21 |
24 |
|
[CD]A:200 |
1 |
1 |
112 |
◊ |
A |
z+1/2,-x+1/2,-y |
6_555 |
3 |
1 |
4438 |
33.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
[CD]B:600 |
1 |
1 |
112 |
◊ |
B |
-z+1/2,-x+1,y-1/2 |
7_564 |
3 |
1 |
4428 |
32.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
32.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[ACT]A:301 |
3 |
1 |
182 |
◊ |
[CD]A:300 |
x,y,z |
1_555 |
1 |
1 |
112 |
32.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[ACT]A:101 |
3 |
1 |
184 |
◊ |
[CD]A:100 |
x,y,z |
1_555 |
1 |
1 |
112 |
24.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[ACT]A:102 |
3 |
1 |
182 |
◊ |
[CD]A:100 |
x,y,z |
1_555 |
1 |
1 |
112 |
24.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
27.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[CD]A:100 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
4438 |
29.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[ACT]A:102 |
3 |
1 |
182 |
◊ |
[ACT]A:101 |
x,y,z |
1_555 |
3 |
1 |
184 |
22.9 |
0.4 |
0.776 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[SO4]A:1000 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4428 |
16.1 |
-2.2 |
0.361 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
A |
1 |
1 |
4438 |
◊ |
B |
-z+1/2,-x+1,y-1/2 |
7_564 |
3 |
1 |
4428 |
8.0 |
-0.2 |
0.377 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[CD]A:100 |
1 |
1 |
112 |
◊ |
B |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
1 |
1 |
4428 |
6.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
B |
2 |
1 |
4428 |
x |
B |
-y+3/4,x+1/4,z-1/4 |
16_554 |
1 |
1 |
4428 |
6.2 |
-0.0 |
0.478 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
B |
1 |
1 |
4428 |
◊ |
A |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
1 |
1 |
4438 |
6.1 |
-0.0 |
0.501 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[SO4]A:1000 |
3 |
1 |
186 |
f |
[CD]A:400 |
x,y,z |
1_555 |
1 |
1 |
112 |
5.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
|