## |
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 |
|
A |
56 |
17 |
11608 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
71 |
21 |
11608 |
521.0 |
-2.9 |
0.550 |
7 |
10 |
0 |
0.000 |
2 |
2 |
|
A |
30 |
12 |
11608 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
25 |
9 |
11608 |
255.0 |
2.5 |
0.900 |
6 |
3 |
0 |
0.000 |
3 |
3 |
|
[GOL]A:322 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
11608 |
144.9 |
-0.5 |
0.581 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
[GOL]A:323 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
11608 |
128.8 |
-0.1 |
0.613 |
8 |
0 |
0 |
0.001 |
5 |
5 |
|
[ACT]A:319 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
11608 |
102.4 |
-0.9 |
0.552 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
[ACT]A:315 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
11608 |
94.8 |
-0.9 |
0.598 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
[ACT]A:317 |
4 |
1 |
183 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
14 |
4 |
11608 |
73.2 |
-0.3 |
0.737 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[ACT]A:316 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11608 |
71.7 |
-0.4 |
0.630 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
[ACT]A:314 |
4 |
1 |
181 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
11 |
6 |
11608 |
70.4 |
-0.2 |
0.696 |
1 |
0 |
0 |
0.000 |
10 |
10 |
|
[ACT]A:321 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11608 |
69.9 |
0.2 |
0.783 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[ACT]A:318 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
11608 |
65.7 |
-0.1 |
0.695 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[ACT]A:320 |
4 |
1 |
183 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
10 |
5 |
11608 |
61.5 |
-0.7 |
0.540 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[ACT]A:314 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
11608 |
59.4 |
0.4 |
0.775 |
2 |
0 |
0 |
0.000 |
14 |
14 |
|
[CL]A:313 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
11608 |
57.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.002 |
15 |
15 |
|
[ACT]A:320 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11608 |
57.0 |
-1.0 |
0.493 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
A |
5 |
2 |
11608 |
◊ |
[ACT]A:321 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
183 |
52.4 |
-0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
17 |
17 |
|
[ACT]A:316 |
4 |
1 |
182 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
8 |
2 |
11608 |
48.8 |
-0.2 |
0.717 |
1 |
0 |
0 |
0.000 |
18 |
18 |
|
[ZN]A:305 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11608 |
47.4 |
-22.0 |
0.000 |
0 |
0 |
0 |
0.012 |
19 |
|
[ZN]A:308 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
11608 |
33.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
40.5 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.012 |
19 |
20 |
|
[ZN]A:309 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
11608 |
39.7 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.007 |
20 |
21 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11608 |
37.8 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.006 |
21 |
22 |
|
[ZN]A:306 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11608 |
36.5 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.006 |
22 |
23 |
|
[ZN]A:311 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
11608 |
36.2 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.005 |
23 |
24 |
|
[GOL]A:322 |
2 |
1 |
218 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
11608 |
36.0 |
0.8 |
0.782 |
1 |
0 |
0 |
0.000 |
24 |
25 |
|
[ACT]A:317 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
11608 |
34.3 |
0.5 |
0.802 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[ZN]A:310 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
11608 |
32.8 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[ZN]A:312 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
11608 |
32.6 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.007 |
28 |
|
[ZN]A:310 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
11608 |
28.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
30.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.007 |
27 |
29 |
|
[ZN]A:307 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11608 |
31.9 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.005 |
28 |
30 |
|
[ZN]A:304 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11608 |
31.5 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.004 |
29 |
31 |
|
A |
5 |
1 |
11608 |
◊ |
[ZN]A:311 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
98 |
28.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
11608 |
27.9 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.004 |
31 |
33 |
|
[ZN]A:304 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
11608 |
26.9 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[ACT]A:321 |
3 |
1 |
183 |
f |
[ZN]A:311 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.005 |
35 |
|
[ACT]A:315 |
3 |
1 |
183 |
f |
[ZN]A:308 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
23.8 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.005 |
33 |
36 |
|
[ACT]A:320 |
2 |
1 |
183 |
f |
[ZN]A:309 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.003 |
34 |
37 |
|
[ZN]A:307 |
1 |
1 |
98 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
11608 |
24.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[ZN]A:306 |
1 |
1 |
98 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
11608 |
6.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
15.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[ACT]A:314 |
3 |
1 |
181 |
cf |
[ZN]A:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.011 |
40 |
|
[ACT]A:315 |
3 |
1 |
183 |
f |
[ZN]A:305 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.011 |
41 |
|
[ACT]A:316 |
3 |
1 |
182 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.011 |
42 |
|
[ACT]A:317 |
3 |
1 |
183 |
f |
[ZN]A:306 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.011 |
43 |
|
[ACT]A:317 |
3 |
1 |
183 |
f |
[ZN]A:307 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
21.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.011 |
36 |
44 |
|
[ZN]A:302 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
11608 |
23.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
45 |
|
[ZN]A:312 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
11608 |
23.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
[ZN]A:312 |
1 |
1 |
98 |
f |
[ZN]A:310 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.8 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.004 |
39 |
47 |
|
A |
2 |
1 |
11608 |
◊ |
[ACT]A:318 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
183 |
17.2 |
0.0 |
0.754 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
[ZN]A:303 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
11608 |
15.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
[ACT]A:316 |
1 |
1 |
182 |
f |
[ZN]A:310 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.002 |
42 |
50 |
|
[ZN]A:307 |
1 |
1 |
98 |
f |
[ZN]A:306 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.003 |
43 |
51 |
|
[ZN]A:308 |
1 |
1 |
98 |
f |
[ZN]A:305 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.003 |
44 |
52 |
|
[CL]A:313 |
1 |
1 |
125 |
f |
[ZN]A:308 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.002 |
45 |
53 |
|
[ZN]A:304 |
1 |
1 |
98 |
f |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.003 |
46 |
54 |
|
[ACT]A:320 |
4 |
1 |
183 |
f |
[ACT]A:316 |
x,y,z |
1_555 |
1 |
1 |
182 |
8.5 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
47 |
55 |
|
[ACT]A:315 |
2 |
1 |
183 |
f |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
[ACT]A:320 |
2 |
1 |
183 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
[ZN]A:309 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
11608 |
5.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
[ACT]A:314 |
1 |
1 |
181 |
f |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
59 |
|
[ACT]A:315 |
1 |
1 |
183 |
f |
[CL]A:313 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
60 |
|
[ACT]A:316 |
1 |
1 |
182 |
f |
[ZN]A:312 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
61 |
|
[CL]A:313 |
1 |
1 |
125 |
f |
[ZN]A:305 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|