## |
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 |
41 |
14 |
17719 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
33 |
11 |
17719 |
343.3 |
0.5 |
0.661 |
6 |
6 |
0 |
0.000 |
2 |
|
A |
37 |
12 |
17860 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
14 |
17860 |
331.5 |
-1.0 |
0.441 |
3 |
4 |
0 |
0.000 |
Average: |
337.4 |
-0.2 |
0.551 |
5 |
5 |
0 |
0.000 |
2 |
3 |
|
B |
28 |
11 |
17719 |
x |
B |
x-1,y,z |
1_455 |
26 |
8 |
17719 |
227.4 |
1.7 |
0.809 |
0 |
0 |
0 |
0.000 |
4 |
|
A |
26 |
10 |
17860 |
x |
A |
x-1,y,z |
1_455 |
21 |
7 |
17860 |
213.2 |
1.2 |
0.784 |
1 |
0 |
0 |
0.000 |
Average: |
220.3 |
1.5 |
0.796 |
1 |
0 |
0 |
0.000 |
3 |
5 |
|
A |
30 |
12 |
17860 |
◊ |
B |
x,y,z-1 |
1_554 |
26 |
9 |
17719 |
217.3 |
-1.1 |
0.424 |
0 |
0 |
0 |
0.000 |
4 |
6 |
|
[BGC]A:707 |
11 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
35 |
18 |
17860 |
174.9 |
2.5 |
0.361 |
3 |
0 |
0 |
0.000 |
7 |
|
[BGC]B:707 |
11 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
33 |
18 |
17719 |
174.4 |
2.4 |
0.348 |
4 |
0 |
0 |
0.000 |
Average: |
174.6 |
2.5 |
0.355 |
4 |
0 |
0 |
0.000 |
5 |
8 |
|
[BGC]B:708 |
10 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
17719 |
172.9 |
3.3 |
0.473 |
1 |
0 |
0 |
0.000 |
9 |
|
[BGC]A:709 |
10 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
17860 |
154.5 |
2.5 |
0.366 |
1 |
0 |
0 |
0.000 |
Average: |
163.7 |
2.9 |
0.419 |
1 |
0 |
0 |
0.000 |
6 |
10 |
|
[BGC]B:702 |
11 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
35 |
12 |
17719 |
166.0 |
2.2 |
0.379 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
[BGC]A:702 |
11 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
31 |
11 |
17860 |
165.8 |
1.8 |
0.321 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[BGC]A:703 |
11 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
17860 |
163.5 |
1.9 |
0.280 |
0 |
0 |
0 |
0.000 |
13 |
|
[BGC]B:703 |
11 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
17719 |
160.8 |
1.5 |
0.260 |
0 |
0 |
0 |
0.000 |
Average: |
162.2 |
1.7 |
0.270 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
B |
17 |
7 |
17719 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
17860 |
140.8 |
0.4 |
0.646 |
2 |
2 |
0 |
0.000 |
10 |
15 |
|
[BGC]A:704 |
10 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
17860 |
132.0 |
0.7 |
0.166 |
0 |
0 |
0 |
0.000 |
16 |
|
[BGC]B:704 |
9 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
17719 |
128.8 |
1.0 |
0.246 |
0 |
0 |
0 |
0.000 |
Average: |
130.4 |
0.9 |
0.206 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[BGC]B:711 |
8 |
1 |
296 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
17719 |
123.8 |
1.3 |
0.333 |
0 |
0 |
0 |
0.000 |
18 |
|
[BGC]A:711 |
9 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
17860 |
122.9 |
1.6 |
0.318 |
0 |
0 |
0 |
0.000 |
Average: |
123.3 |
1.5 |
0.325 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
[BGC]B:709 |
10 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
17719 |
117.6 |
2.6 |
0.293 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
[EDO]B:701 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
17719 |
109.8 |
4.0 |
0.620 |
3 |
0 |
0 |
0.000 |
14 |
21 |
|
[BGC]A:708 |
9 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
17860 |
108.3 |
2.7 |
0.414 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[BGC]B:710 |
8 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
17719 |
108.2 |
2.1 |
0.401 |
0 |
0 |
0 |
0.000 |
23 |
|
[BGC]A:710 |
8 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
17860 |
106.8 |
1.5 |
0.337 |
0 |
0 |
0 |
0.000 |
Average: |
107.5 |
1.8 |
0.369 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[EDO]A:701 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
17860 |
107.9 |
4.0 |
0.624 |
4 |
0 |
0 |
0.000 |
17 |
25 |
|
[BGC]A:705 |
9 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
17860 |
102.8 |
1.0 |
0.260 |
0 |
0 |
0 |
0.000 |
26 |
|
[BGC]B:705 |
9 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
17719 |
101.3 |
1.0 |
0.228 |
0 |
0 |
0 |
0.000 |
Average: |
102.1 |
1.0 |
0.244 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[BGC]A:706 |
9 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
16 |
3 |
17860 |
85.5 |
0.2 |
0.182 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[BGC]B:706 |
7 |
1 |
302 |
f |
B |
x,y,z |
1_555 |
15 |
3 |
17719 |
74.0 |
0.2 |
0.212 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[BGC]B:712 |
9 |
1 |
304 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
17719 |
68.6 |
1.2 |
0.269 |
0 |
0 |
0 |
0.000 |
30 |
|
[BGC]A:712 |
6 |
1 |
302 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
17860 |
62.3 |
1.3 |
0.432 |
0 |
0 |
0 |
0.000 |
Average: |
65.5 |
1.2 |
0.351 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[BGC]A:712 |
5 |
1 |
302 |
cf |
[BGC]A:711 |
x,y,z |
1_555 |
6 |
1 |
294 |
63.6 |
1.3 |
0.155 |
1 |
0 |
0 |
0.000 |
22 |
32 |
|
[BGC]B:712 |
5 |
1 |
304 |
cf |
[BGC]B:711 |
x,y,z |
1_555 |
7 |
1 |
296 |
62.7 |
1.2 |
0.158 |
1 |
0 |
0 |
0.000 |
33 |
|
[BGC]A:710 |
5 |
1 |
292 |
cf |
[BGC]A:708 |
x,y,z |
1_555 |
6 |
1 |
290 |
61.8 |
1.4 |
0.139 |
0 |
0 |
0 |
0.000 |
34 |
|
[BGC]B:710 |
5 |
1 |
294 |
cf |
[BGC]B:709 |
x,y,z |
1_555 |
7 |
1 |
291 |
60.4 |
1.4 |
0.141 |
0 |
0 |
0 |
0.000 |
35 |
|
[BGC]B:703 |
6 |
1 |
294 |
cf |
[BGC]B:702 |
x,y,z |
1_555 |
7 |
1 |
294 |
55.2 |
1.1 |
0.126 |
1 |
0 |
0 |
0.000 |
36 |
|
[BGC]A:703 |
5 |
1 |
294 |
cf |
[BGC]A:702 |
x,y,z |
1_555 |
7 |
1 |
295 |
53.6 |
1.0 |
0.120 |
0 |
0 |
0 |
0.000 |
Average: |
58.7 |
1.2 |
0.137 |
0 |
0 |
0 |
0.000 |
23 |
37 |
|
[BGC]B:706 |
4 |
1 |
302 |
cf |
[BGC]B:705 |
x,y,z |
1_555 |
6 |
1 |
293 |
62.3 |
1.2 |
0.161 |
1 |
0 |
0 |
0.000 |
24 |
38 |
|
[BGC]A:705 |
5 |
1 |
295 |
cf |
[BGC]A:704 |
x,y,z |
1_555 |
7 |
1 |
289 |
62.2 |
1.1 |
0.134 |
1 |
0 |
0 |
0.000 |
39 |
|
[BGC]B:705 |
5 |
1 |
293 |
cf |
[BGC]B:704 |
x,y,z |
1_555 |
7 |
1 |
292 |
61.4 |
1.2 |
0.146 |
1 |
0 |
0 |
0.000 |
40 |
|
[BGC]B:704 |
5 |
1 |
292 |
cf |
[BGC]B:703 |
x,y,z |
1_555 |
6 |
1 |
294 |
56.5 |
1.1 |
0.146 |
0 |
0 |
0 |
0.000 |
41 |
|
[BGC]A:707 |
6 |
1 |
294 |
cf |
[BGC]A:702 |
x,y,z |
1_555 |
6 |
1 |
295 |
55.7 |
1.3 |
0.150 |
0 |
0 |
0 |
0.000 |
Average: |
59.0 |
1.2 |
0.144 |
1 |
0 |
0 |
0.000 |
25 |
42 |
|
[BGC]A:706 |
5 |
1 |
306 |
cf |
[BGC]A:705 |
x,y,z |
1_555 |
7 |
1 |
295 |
62.1 |
1.3 |
0.167 |
1 |
0 |
0 |
0.000 |
43 |
|
[BGC]A:704 |
6 |
1 |
289 |
cf |
[BGC]A:703 |
x,y,z |
1_555 |
7 |
1 |
294 |
56.2 |
1.4 |
0.122 |
1 |
0 |
0 |
0.000 |
44 |
|
[BGC]B:707 |
6 |
1 |
293 |
cf |
[BGC]B:702 |
x,y,z |
1_555 |
5 |
1 |
294 |
53.8 |
1.1 |
0.150 |
0 |
0 |
0 |
0.000 |
Average: |
57.4 |
1.3 |
0.146 |
1 |
0 |
0 |
0.000 |
26 |
45 |
|
[BGC]B:709 |
5 |
1 |
291 |
cf |
[BGC]B:708 |
x,y,z |
1_555 |
6 |
1 |
293 |
61.1 |
1.6 |
0.184 |
0 |
0 |
0 |
0.000 |
46 |
|
[BGC]A:711 |
5 |
1 |
294 |
cf |
[BGC]A:710 |
x,y,z |
1_555 |
5 |
1 |
292 |
58.8 |
1.8 |
0.230 |
0 |
0 |
0 |
0.000 |
47 |
|
[BGC]B:711 |
5 |
1 |
296 |
cf |
[BGC]B:710 |
x,y,z |
1_555 |
5 |
1 |
294 |
56.9 |
1.9 |
0.249 |
0 |
0 |
0 |
0.000 |
Average: |
58.9 |
1.8 |
0.221 |
0 |
0 |
0 |
0.000 |
27 |
48 |
|
[BGC]A:709 |
5 |
1 |
292 |
cf |
[BGC]A:708 |
x,y,z |
1_555 |
5 |
1 |
290 |
60.8 |
1.7 |
0.203 |
0 |
0 |
0 |
0.000 |
28 |
49 |
|
[BGC]A:712 |
7 |
1 |
302 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
17719 |
54.5 |
1.3 |
0.381 |
0 |
0 |
0 |
0.000 |
29 |
50 |
|
[BGC]A:711 |
6 |
1 |
294 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
17719 |
28.4 |
1.0 |
0.344 |
0 |
0 |
0 |
0.000 |
30 |
51 |
|
A |
1 |
1 |
17860 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
17719 |
7.7 |
-0.2 |
0.212 |
0 |
0 |
0 |
0.000 |
31 |
52 |
|
[BGC]A:712 |
1 |
1 |
302 |
f |
[BGC]A:710 |
x,y,z |
1_555 |
2 |
1 |
292 |
5.5 |
0.2 |
0.210 |
0 |
0 |
0 |
0.000 |
53 |
|
[BGC]A:710 |
1 |
1 |
292 |
f |
[BGC]A:709 |
x,y,z |
1_555 |
2 |
1 |
292 |
4.6 |
0.2 |
0.219 |
0 |
0 |
0 |
0.000 |
54 |
|
[BGC]B:710 |
1 |
1 |
294 |
f |
[BGC]B:708 |
x,y,z |
1_555 |
1 |
1 |
293 |
2.6 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
Average: |
4.2 |
0.2 |
0.204 |
0 |
0 |
0 |
0.000 |
32 |
55 |
|
[BGC]B:712 |
1 |
1 |
304 |
f |
[BGC]B:710 |
x,y,z |
1_555 |
1 |
1 |
294 |
4.5 |
0.2 |
0.174 |
0 |
0 |
0 |
0.000 |
33 |
56 |
|
[BGC]A:706 |
1 |
1 |
306 |
f |
[BGC]A:704 |
x,y,z |
1_555 |
1 |
1 |
289 |
2.5 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
57 |
|
[BGC]A:705 |
1 |
1 |
295 |
f |
[BGC]A:703 |
x,y,z |
1_555 |
1 |
1 |
294 |
2.0 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
58 |
|
[BGC]B:705 |
1 |
1 |
293 |
f |
[BGC]B:703 |
x,y,z |
1_555 |
1 |
1 |
294 |
2.0 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
Average: |
2.2 |
0.1 |
0.179 |
0 |
0 |
0 |
0.000 |
34 |
59 |
|
[BGC]B:706 |
1 |
1 |
302 |
f |
[BGC]B:704 |
x,y,z |
1_555 |
1 |
1 |
292 |
1.9 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
35 |
60 |
|
[BGC]A:707 |
1 |
1 |
294 |
f |
[BGC]A:703 |
x,y,z |
1_555 |
1 |
1 |
294 |
1.8 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
36 |
61 |
|
[BGC]B:707 |
1 |
1 |
293 |
f |
[BGC]B:703 |
x,y,z |
1_555 |
1 |
1 |
294 |
1.6 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
37 |
62 |
|
[BGC]A:711 |
1 |
1 |
294 |
f |
[BGC]A:708 |
x,y,z |
1_555 |
1 |
1 |
290 |
1.5 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
63 |
|
[BGC]B:711 |
1 |
1 |
296 |
f |
[BGC]B:709 |
x,y,z |
1_555 |
1 |
1 |
291 |
1.0 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
Average: |
1.2 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
38 |
64 |
|
[BGC]B:704 |
1 |
1 |
292 |
f |
[BGC]B:702 |
x,y,z |
1_555 |
1 |
1 |
294 |
0.9 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
39 |
65 |
|
[BGC]A:704 |
1 |
1 |
289 |
f |
[BGC]A:702 |
x,y,z |
1_555 |
1 |
1 |
295 |
0.9 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
40 |
66 |
|
[BGC]B:712 |
1 |
1 |
304 |
f |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
17860 |
0.6 |
0.0 |
0.337 |
0 |
0 |
0 |
0.000 |
|