| ## |
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 |
54 |
15 |
4468 |
◊ |
A |
x,y,z |
1_555 |
62 |
16 |
4574 |
572.9 |
-3.0 |
0.266 |
5 |
3 |
0 |
0.000 |
| 2 |
2 |
|
B |
45 |
14 |
4468 |
◊ |
B |
-x+3/4,z+1/4,y-1/4 |
18_554 |
46 |
14 |
4468 |
418.3 |
-0.4 |
0.456 |
2 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
40 |
11 |
4574 |
◊ |
B |
-y+3/4,x+1/4,z-1/4 |
16_554 |
36 |
11 |
4468 |
354.3 |
0.3 |
0.414 |
6 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
32 |
9 |
4574 |
◊ |
A |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
31 |
8 |
4574 |
288.9 |
-0.8 |
0.444 |
2 |
4 |
0 |
0.000 |
| 5 |
5 |
|
A |
28 |
10 |
4574 |
x |
A |
z+1/2,-x+1/2,-y |
6_555 |
27 |
9 |
4574 |
261.8 |
-0.1 |
0.533 |
5 |
2 |
0 |
0.080 |
| 6 |
6 |
|
B |
22 |
9 |
4468 |
x |
B |
-z+1/2,-x+1,y-1/2 |
7_564 |
16 |
6 |
4468 |
195.4 |
-0.5 |
0.436 |
2 |
1 |
0 |
0.000 |
| 7 |
7 |
|
[ACT]A:101 |
4 |
1 |
183 |
◊ |
A |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
13 |
5 |
4574 |
69.0 |
-1.3 |
0.404 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[ACT]A:301 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
4574 |
67.9 |
0.3 |
0.706 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[CD]B:800 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
4468 |
57.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.186 |
10 |
|
[CD]A:400 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
4574 |
54.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.186 |
| Average: |
56.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.186 |
| 10 |
11 |
|
[CD]B:700 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
4468 |
52.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.123 |
12 |
|
[CD]A:300 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
4574 |
39.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.123 |
| Average: |
46.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.123 |
| 11 |
13 |
|
[CD]A:402 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
4574 |
52.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.168 |
| 12 |
14 |
|
[CD]B:600 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
4468 |
51.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.184 |
15 |
|
[CD]A:200 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
4574 |
49.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.184 |
| Average: |
50.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.184 |
| 13 |
16 |
|
[CD]B:500 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4468 |
41.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
|
[CD]A:100 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
4574 |
34.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
38.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[CD]B:500 |
1 |
1 |
112 |
f |
B |
-x+3/4,z+1/4,y-1/4 |
18_554 |
5 |
3 |
4468 |
40.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.018 |
| 15 |
19 |
|
[ACT]A:101 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
4574 |
40.5 |
1.2 |
0.884 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[CD]A:100 |
1 |
1 |
112 |
f |
A |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
8 |
3 |
4574 |
36.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.112 |
| 17 |
21 |
|
[CD]B:600 |
1 |
1 |
112 |
◊ |
B |
-z+1/2,-x+1,y-1/2 |
7_564 |
3 |
1 |
4468 |
35.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.066 |
22 |
|
[CD]A:200 |
1 |
1 |
112 |
◊ |
A |
z+1/2,-x+1/2,-y |
6_555 |
3 |
1 |
4574 |
27.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
31.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.066 |
| 18 |
23 |
|
B |
5 |
2 |
4468 |
x |
B |
-y+3/4,x+1/4,z-1/4 |
16_554 |
3 |
2 |
4468 |
31.6 |
-0.2 |
0.371 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
A |
4 |
1 |
4574 |
◊ |
[ACT]A:301 |
z+1/2,-x+1/2,-y |
6_555 |
4 |
1 |
184 |
31.5 |
0.3 |
0.767 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
A |
3 |
1 |
4574 |
◊ |
[CD]A:300 |
z+1/2,-x+1/2,-y |
6_555 |
1 |
1 |
112 |
31.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.063 |
26 |
|
B |
2 |
1 |
4468 |
◊ |
[CD]B:700 |
-z+1/2,-x+1,y-1/2 |
7_564 |
1 |
1 |
112 |
10.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
20.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.063 |
| 21 |
27 |
|
[ACT]A:301 |
3 |
1 |
184 |
◊ |
[CD]A:300 |
x,y,z |
1_555 |
1 |
1 |
112 |
31.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[ACT]A:101 |
4 |
1 |
183 |
◊ |
[CD]A:100 |
x,y,z |
1_555 |
1 |
1 |
112 |
28.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
29.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
[ACT]A:101 |
2 |
1 |
183 |
f |
B |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
3 |
2 |
4468 |
30.6 |
-0.8 |
0.271 |
0 |
0 |
0 |
0.004 |
| 23 |
30 |
|
A |
3 |
2 |
4574 |
◊ |
B |
-z+1/2,-x+1,y-1/2 |
7_564 |
3 |
1 |
4468 |
26.1 |
0.2 |
0.602 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
A |
1 |
1 |
4574 |
◊ |
[ACT]A:101 |
z+1/2,-x+1/2,-y |
6_555 |
2 |
1 |
183 |
11.3 |
0.2 |
0.786 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[CD]A:100 |
1 |
1 |
112 |
◊ |
B |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
1 |
1 |
4468 |
6.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
A |
1 |
1 |
4574 |
◊ |
[CD]A:200 |
z+1/2,-x+1/2,-y |
6_555 |
1 |
1 |
112 |
2.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 27 |
34 |
|
B |
1 |
1 |
4468 |
◊ |
A |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
1 |
1 |
4574 |
2.6 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[CD]A:200 |
1 |
1 |
112 |
x |
[CD]A:200 |
z+1/2,-x+1/2,-y |
6_555 |
1 |
1 |
112 |
1.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.010 |
| 29 |
36 |
|
[ACT]A:301 |
1 |
1 |
184 |
f |
A |
-x+1/4,-z+1/4,-y+1/4 |
19_555 |
1 |
1 |
4574 |
1.2 |
-0.0 |
0.514 |
0 |
0 |
0 |
0.001 |
|