## |
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 |
81 |
25 |
11684 |
◊ |
A |
x,y,z |
1_555 |
74 |
21 |
11727 |
685.1 |
-3.3 |
0.500 |
1 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
59 |
18 |
11727 |
x |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
44 |
14 |
11727 |
455.9 |
0.1 |
0.694 |
4 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
42 |
14 |
11727 |
◊ |
B |
x,y-1,z |
1_545 |
47 |
18 |
11684 |
419.8 |
3.2 |
0.874 |
2 |
5 |
0 |
0.000 |
4 |
4 |
|
A |
44 |
12 |
11727 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
43 |
12 |
11684 |
377.7 |
-3.8 |
0.264 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
41 |
13 |
11727 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
41 |
10 |
11684 |
369.9 |
-3.5 |
0.305 |
3 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
35 |
12 |
11684 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
38 |
11 |
11684 |
311.1 |
-1.9 |
0.476 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
[5DU]B:313 |
24 |
1 |
576 |
f |
B |
x,y,z |
1_555 |
40 |
17 |
11684 |
310.8 |
-1.7 |
0.303 |
2 |
0 |
0 |
0.006 |
8 |
8 |
|
A |
22 |
7 |
11727 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
6 |
11684 |
193.0 |
-0.3 |
0.606 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
[PEG]B:309 |
7 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
11684 |
160.2 |
3.2 |
0.337 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[CIT]B:312 |
11 |
1 |
318 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
11684 |
153.9 |
2.0 |
0.549 |
5 |
0 |
0 |
0.000 |
11 |
11 |
|
[CIT]A:308 |
10 |
1 |
314 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
11727 |
135.8 |
0.8 |
0.483 |
4 |
0 |
0 |
0.003 |
12 |
12 |
|
[PEG]A:302 |
7 |
1 |
269 |
◊ |
B |
x,y-1,z |
1_545 |
19 |
5 |
11684 |
128.6 |
3.0 |
0.414 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[CIT]A:306 |
10 |
1 |
317 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11727 |
128.5 |
1.2 |
0.476 |
7 |
0 |
0 |
0.005 |
14 |
14 |
|
[BCN]B:306 |
9 |
1 |
328 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
11684 |
116.6 |
1.9 |
0.640 |
2 |
0 |
0 |
0.000 |
15 |
15 |
|
[CIT]B:302 |
9 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
11684 |
114.3 |
-0.2 |
0.304 |
5 |
0 |
0 |
0.006 |
16 |
16 |
|
[EDO]A:303 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
11727 |
111.6 |
2.7 |
0.414 |
2 |
0 |
0 |
0.000 |
17 |
17 |
|
A |
11 |
4 |
11727 |
◊ |
B |
x-1,y-1,z |
1_445 |
12 |
5 |
11684 |
106.2 |
-1.7 |
0.286 |
0 |
0 |
0 |
0.000 |
18 |
18 |
|
[ACT]A:307 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
11727 |
105.5 |
-1.2 |
0.508 |
3 |
0 |
0 |
0.006 |
19 |
19 |
|
B |
17 |
7 |
11684 |
◊ |
[EDO]B:303 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
186 |
99.9 |
2.8 |
0.428 |
0 |
0 |
0 |
0.000 |
20 |
20 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
11727 |
99.5 |
3.5 |
0.513 |
2 |
0 |
0 |
0.000 |
21 |
21 |
|
[PEG]A:302 |
7 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11727 |
96.7 |
1.6 |
0.262 |
2 |
0 |
0 |
0.000 |
22 |
22 |
|
[ACT]B:311 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
11684 |
82.5 |
-0.9 |
0.502 |
3 |
0 |
0 |
0.006 |
23 |
23 |
|
[AZI]B:305 |
3 |
1 |
164 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
11684 |
82.2 |
0.4 |
0.435 |
0 |
0 |
0 |
0.000 |
24 |
24 |
|
[EDO]B:308 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
11684 |
77.8 |
1.4 |
0.574 |
1 |
0 |
0 |
0.000 |
25 |
25 |
|
[EDO]B:307 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
11684 |
77.6 |
1.5 |
0.212 |
1 |
0 |
0 |
0.000 |
26 |
26 |
|
[EDO]A:305 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
11727 |
74.7 |
1.6 |
0.187 |
0 |
0 |
0 |
0.000 |
27 |
27 |
|
[EDO]B:304 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
11727 |
69.2 |
2.0 |
0.260 |
0 |
0 |
0 |
0.000 |
28 |
28 |
|
[BCN]B:306 |
4 |
1 |
328 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
11727 |
68.3 |
0.6 |
0.456 |
0 |
0 |
0 |
0.000 |
29 |
29 |
|
[LCP]B:310 |
4 |
1 |
194 |
◊ |
[PEG]B:309 |
x,y,z |
1_555 |
6 |
1 |
263 |
64.0 |
0.7 |
0.185 |
0 |
0 |
0 |
0.000 |
30 |
30 |
|
[LCP]B:310 |
4 |
1 |
194 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
11684 |
62.0 |
0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
31 |
31 |
|
A |
8 |
3 |
11727 |
◊ |
[EDO]B:307 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
186 |
55.9 |
1.6 |
0.286 |
1 |
0 |
0 |
0.000 |
32 |
32 |
|
[EDO]B:304 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11684 |
54.1 |
1.2 |
0.246 |
0 |
0 |
0 |
0.000 |
33 |
33 |
|
[EDO]B:303 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11684 |
50.2 |
1.0 |
0.843 |
1 |
0 |
0 |
0.000 |
34 |
34 |
|
A |
5 |
2 |
11727 |
◊ |
[5DU]B:313 |
x,y-1,z |
1_545 |
7 |
1 |
576 |
43.5 |
1.2 |
0.644 |
1 |
0 |
0 |
0.000 |
35 |
35 |
|
[EDO]A:305 |
4 |
1 |
184 |
f |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
2 |
11684 |
42.6 |
1.2 |
0.896 |
1 |
0 |
0 |
0.000 |
36 |
36 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
11727 |
40.4 |
-28.4 |
0.000 |
0 |
0 |
0 |
0.074 |
37 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
11684 |
31.8 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
36.1 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.074 |
37 |
38 |
|
A |
4 |
3 |
11727 |
f |
[EDO]B:308 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
188 |
40.2 |
0.8 |
0.459 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
[5DU]B:313 |
3 |
1 |
576 |
f |
[ACT]B:311 |
x,y,z |
1_555 |
4 |
1 |
185 |
36.7 |
-1.2 |
0.295 |
0 |
0 |
0 |
0.003 |
39 |
40 |
|
[5DU]B:313 |
2 |
1 |
576 |
f |
[AZI]B:305 |
x,y,z |
1_555 |
3 |
1 |
164 |
31.3 |
0.1 |
0.113 |
0 |
0 |
0 |
0.000 |
40 |
41 |
|
[EDO]A:303 |
3 |
1 |
185 |
f |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
1 |
11727 |
27.7 |
0.9 |
0.844 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
B |
3 |
2 |
11684 |
f |
[LCP]B:310 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
194 |
27.1 |
-0.3 |
0.577 |
0 |
0 |
0 |
0.000 |
42 |
43 |
|
[ACT]A:307 |
3 |
1 |
184 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.027 |
43 |
44 |
|
[ACT]B:311 |
3 |
1 |
185 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.021 |
44 |
45 |
|
A |
3 |
2 |
11727 |
◊ |
[CIT]B:302 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
307 |
16.8 |
0.3 |
0.463 |
0 |
0 |
0 |
0.000 |
45 |
46 |
|
B |
2 |
2 |
11684 |
◊ |
[PEG]B:309 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
263 |
15.3 |
0.6 |
0.433 |
0 |
0 |
0 |
0.000 |
46 |
47 |
|
[CIT]A:306 |
2 |
1 |
317 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
11684 |
12.4 |
-0.4 |
0.374 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
[AZI]B:305 |
1 |
1 |
164 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.011 |
48 |
49 |
|
[5DU]B:313 |
1 |
1 |
576 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.008 |
49 |
50 |
|
[ACT]B:311 |
3 |
1 |
185 |
f |
[AZI]B:305 |
x,y,z |
1_555 |
1 |
1 |
164 |
10.0 |
0.2 |
0.479 |
0 |
0 |
0 |
0.000 |
50 |
51 |
|
A |
3 |
2 |
11727 |
◊ |
[LCP]B:310 |
x-1,y,z |
1_455 |
1 |
1 |
194 |
4.6 |
0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
51 |
52 |
|
[CIT]A:306 |
1 |
1 |
317 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
11727 |
3.6 |
0.1 |
0.355 |
0 |
0 |
0 |
0.000 |
|