| ## |
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 |
34 |
12 |
17654 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
33 |
13 |
17654 |
309.4 |
-0.2 |
0.517 |
4 |
4 |
0 |
0.000 |
2 |
|
A |
32 |
11 |
17780 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
13 |
17780 |
300.6 |
-0.4 |
0.450 |
3 |
4 |
0 |
0.000 |
| Average: |
305.0 |
-0.3 |
0.483 |
4 |
4 |
0 |
0.000 |
| 2 |
3 |
|
A |
27 |
11 |
17780 |
x |
A |
x-1,y,z |
1_455 |
24 |
8 |
17780 |
221.7 |
1.7 |
0.815 |
4 |
0 |
0 |
0.000 |
4 |
|
B |
28 |
11 |
17654 |
x |
B |
x-1,y,z |
1_455 |
22 |
8 |
17654 |
220.6 |
1.7 |
0.819 |
4 |
0 |
0 |
0.000 |
| Average: |
221.1 |
1.7 |
0.817 |
4 |
0 |
0 |
0.000 |
| 3 |
5 |
|
[BGC]B:701 |
11 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
31 |
17 |
17654 |
175.1 |
2.6 |
0.342 |
7 |
0 |
0 |
0.000 |
6 |
|
[BGC]A:701 |
11 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
32 |
18 |
17780 |
173.2 |
2.5 |
0.350 |
6 |
0 |
0 |
0.000 |
| Average: |
174.2 |
2.6 |
0.346 |
7 |
0 |
0 |
0.000 |
| 4 |
7 |
|
A |
25 |
10 |
17780 |
◊ |
B |
x,y,z-1 |
1_554 |
24 |
9 |
17654 |
170.6 |
-0.8 |
0.384 |
0 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[BGC]A:707 |
10 |
1 |
293 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
17780 |
167.8 |
3.0 |
0.417 |
3 |
0 |
0 |
0.000 |
9 |
|
[BGC]B:707 |
10 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
17654 |
164.8 |
3.1 |
0.448 |
3 |
0 |
0 |
0.000 |
| Average: |
166.3 |
3.1 |
0.433 |
3 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[BGC]B:702 |
11 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
33 |
12 |
17654 |
167.0 |
2.1 |
0.318 |
1 |
0 |
0 |
0.000 |
11 |
|
[BGC]A:702 |
11 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
33 |
12 |
17780 |
166.8 |
1.9 |
0.304 |
1 |
0 |
0 |
0.000 |
| Average: |
166.9 |
2.0 |
0.311 |
1 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[BGC]B:703 |
11 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
28 |
9 |
17654 |
157.6 |
1.8 |
0.278 |
0 |
0 |
0 |
0.000 |
13 |
|
[BGC]A:703 |
11 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
17780 |
157.4 |
1.7 |
0.276 |
0 |
0 |
0 |
0.000 |
| Average: |
157.5 |
1.8 |
0.277 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[BGC]A:710 |
9 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
17780 |
132.2 |
1.9 |
0.346 |
1 |
0 |
0 |
0.000 |
15 |
|
[BGC]B:710 |
8 |
1 |
292 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
17654 |
122.3 |
1.3 |
0.295 |
1 |
0 |
0 |
0.000 |
| Average: |
127.3 |
1.6 |
0.320 |
1 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[BGC]B:704 |
9 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
17654 |
128.2 |
1.0 |
0.212 |
0 |
0 |
0 |
0.000 |
17 |
|
[BGC]A:704 |
9 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
17780 |
126.4 |
1.0 |
0.220 |
0 |
0 |
0 |
0.000 |
| Average: |
127.3 |
1.0 |
0.216 |
0 |
0 |
0 |
0.000 |
| 10 |
18 |
|
B |
14 |
5 |
17654 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
17780 |
122.7 |
0.3 |
0.634 |
1 |
2 |
0 |
0.000 |
| 11 |
19 |
|
[BGC]A:708 |
8 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
12 |
8 |
17780 |
112.2 |
2.5 |
0.407 |
3 |
0 |
0 |
0.000 |
20 |
|
[BGC]B:708 |
8 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
14 |
8 |
17654 |
112.2 |
2.5 |
0.400 |
3 |
0 |
0 |
0.000 |
| Average: |
112.2 |
2.5 |
0.404 |
3 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[EDO]A:712 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
17780 |
109.7 |
4.0 |
0.610 |
6 |
0 |
0 |
0.000 |
22 |
|
[EDO]B:712 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
17654 |
109.6 |
4.0 |
0.610 |
6 |
0 |
0 |
0.000 |
| Average: |
109.7 |
4.0 |
0.610 |
6 |
0 |
0 |
0.000 |
| 13 |
23 |
|
[BGC]A:709 |
8 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
17780 |
108.0 |
1.4 |
0.317 |
0 |
0 |
0 |
0.000 |
24 |
|
[BGC]B:709 |
8 |
1 |
292 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
17654 |
105.7 |
1.4 |
0.319 |
0 |
0 |
0 |
0.000 |
| Average: |
106.9 |
1.4 |
0.318 |
0 |
0 |
0 |
0.000 |
| 14 |
25 |
|
[BGC]B:705 |
9 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
17654 |
105.2 |
1.1 |
0.226 |
0 |
0 |
0 |
0.000 |
26 |
|
[BGC]A:705 |
9 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
17780 |
103.7 |
1.1 |
0.233 |
0 |
0 |
0 |
0.000 |
| Average: |
104.5 |
1.1 |
0.230 |
0 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[BGC]A:706 |
10 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
17 |
3 |
17780 |
93.7 |
0.3 |
0.144 |
0 |
0 |
0 |
0.000 |
28 |
|
[BGC]B:706 |
10 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
17 |
3 |
17654 |
92.7 |
0.3 |
0.151 |
0 |
0 |
0 |
0.000 |
| Average: |
93.2 |
0.3 |
0.147 |
0 |
0 |
0 |
0.000 |
| 16 |
29 |
|
[BGC]A:711 |
5 |
1 |
303 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
17780 |
66.6 |
1.2 |
0.473 |
0 |
0 |
0 |
0.000 |
| 17 |
30 |
|
[BGC]A:706 |
4 |
1 |
306 |
cf |
[BGC]A:705 |
x,y,z |
1_555 |
7 |
1 |
296 |
62.5 |
1.2 |
0.139 |
1 |
0 |
0 |
0.000 |
31 |
|
[BGC]B:705 |
5 |
1 |
296 |
cf |
[BGC]B:704 |
x,y,z |
1_555 |
7 |
1 |
292 |
61.7 |
1.3 |
0.134 |
1 |
0 |
0 |
0.000 |
32 |
|
[BGC]A:705 |
6 |
1 |
296 |
cf |
[BGC]A:704 |
x,y,z |
1_555 |
6 |
1 |
290 |
61.4 |
1.3 |
0.134 |
1 |
0 |
0 |
0.000 |
33 |
|
[BGC]B:704 |
5 |
1 |
292 |
cf |
[BGC]B:703 |
x,y,z |
1_555 |
6 |
1 |
294 |
56.0 |
1.3 |
0.149 |
0 |
0 |
0 |
0.000 |
| Average: |
60.4 |
1.3 |
0.139 |
1 |
0 |
0 |
0.000 |
| 18 |
34 |
|
[BGC]B:706 |
4 |
1 |
303 |
cf |
[BGC]B:705 |
x,y,z |
1_555 |
7 |
1 |
296 |
62.4 |
1.2 |
0.131 |
1 |
0 |
0 |
0.000 |
| 19 |
35 |
|
[BGC]A:711 |
5 |
1 |
303 |
cf |
[BGC]A:710 |
x,y,z |
1_555 |
6 |
1 |
292 |
62.2 |
1.4 |
0.171 |
1 |
0 |
0 |
0.000 |
| 20 |
36 |
|
[BGC]B:711 |
5 |
1 |
304 |
cf |
[BGC]B:710 |
x,y,z |
1_555 |
7 |
1 |
292 |
61.9 |
1.2 |
0.154 |
1 |
0 |
0 |
0.000 |
| 21 |
37 |
|
[BGC]B:711 |
6 |
1 |
304 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
17654 |
61.5 |
1.3 |
0.401 |
0 |
0 |
0 |
0.000 |
| 22 |
38 |
|
[BGC]A:708 |
5 |
1 |
292 |
cf |
[BGC]A:707 |
x,y,z |
1_555 |
5 |
1 |
293 |
61.3 |
1.8 |
0.220 |
0 |
0 |
0 |
0.000 |
39 |
|
[BGC]B:708 |
5 |
1 |
293 |
cf |
[BGC]B:707 |
x,y,z |
1_555 |
7 |
1 |
293 |
61.1 |
1.7 |
0.152 |
0 |
0 |
0 |
0.000 |
| Average: |
61.2 |
1.7 |
0.186 |
0 |
0 |
0 |
0.000 |
| 23 |
40 |
|
[BGC]B:709 |
5 |
1 |
292 |
cf |
[BGC]B:708 |
x,y,z |
1_555 |
7 |
1 |
293 |
60.7 |
1.4 |
0.147 |
0 |
0 |
0 |
0.000 |
41 |
|
[BGC]A:709 |
5 |
1 |
290 |
cf |
[BGC]A:708 |
x,y,z |
1_555 |
7 |
1 |
292 |
60.6 |
1.4 |
0.148 |
0 |
0 |
0 |
0.000 |
42 |
|
[BGC]B:703 |
6 |
1 |
294 |
cf |
[BGC]B:702 |
x,y,z |
1_555 |
7 |
1 |
294 |
54.5 |
1.1 |
0.115 |
1 |
0 |
0 |
0.000 |
43 |
|
[BGC]A:703 |
5 |
1 |
292 |
cf |
[BGC]A:702 |
x,y,z |
1_555 |
7 |
1 |
294 |
54.1 |
1.1 |
0.135 |
1 |
0 |
0 |
0.000 |
| Average: |
57.5 |
1.2 |
0.136 |
1 |
0 |
0 |
0.000 |
| 24 |
44 |
|
[BGC]A:710 |
5 |
1 |
292 |
cf |
[BGC]A:709 |
x,y,z |
1_555 |
5 |
1 |
290 |
57.2 |
1.8 |
0.263 |
0 |
0 |
0 |
0.000 |
45 |
|
[BGC]B:710 |
5 |
1 |
292 |
cf |
[BGC]B:709 |
x,y,z |
1_555 |
4 |
1 |
292 |
57.1 |
1.8 |
0.225 |
0 |
0 |
0 |
0.000 |
| Average: |
57.1 |
1.8 |
0.244 |
0 |
0 |
0 |
0.000 |
| 25 |
46 |
|
[BGC]A:704 |
5 |
1 |
290 |
cf |
[BGC]A:703 |
x,y,z |
1_555 |
6 |
1 |
292 |
56.2 |
1.3 |
0.150 |
0 |
0 |
0 |
0.000 |
47 |
|
[BGC]A:702 |
5 |
1 |
294 |
cf |
[BGC]A:701 |
x,y,z |
1_555 |
7 |
1 |
293 |
53.9 |
1.3 |
0.145 |
0 |
0 |
0 |
0.000 |
48 |
|
[BGC]B:702 |
5 |
1 |
294 |
cf |
[BGC]B:701 |
x,y,z |
1_555 |
7 |
1 |
292 |
53.0 |
1.3 |
0.129 |
0 |
0 |
0 |
0.000 |
| Average: |
54.4 |
1.3 |
0.141 |
0 |
0 |
0 |
0.000 |
| 26 |
49 |
|
[BGC]A:711 |
6 |
1 |
303 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
17654 |
48.2 |
0.9 |
0.331 |
0 |
0 |
0 |
0.000 |
| 27 |
50 |
|
[BGC]A:710 |
3 |
1 |
292 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
17654 |
20.0 |
0.8 |
0.486 |
0 |
0 |
0 |
0.000 |
| 28 |
51 |
|
A |
1 |
1 |
17780 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
17654 |
5.8 |
-0.2 |
0.251 |
0 |
0 |
0 |
0.000 |
| 29 |
52 |
|
[BGC]B:711 |
1 |
1 |
304 |
f |
[BGC]B:709 |
x,y,z |
1_555 |
2 |
1 |
292 |
4.5 |
0.2 |
0.210 |
0 |
0 |
0 |
0.000 |
| 30 |
53 |
|
[BGC]B:711 |
2 |
1 |
304 |
f |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
17780 |
4.2 |
0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
| 31 |
54 |
|
[BGC]A:711 |
1 |
1 |
303 |
f |
[BGC]A:709 |
x,y,z |
1_555 |
1 |
1 |
290 |
4.0 |
0.2 |
0.174 |
0 |
0 |
0 |
0.000 |
55 |
|
[BGC]B:709 |
1 |
1 |
292 |
f |
[BGC]B:707 |
x,y,z |
1_555 |
1 |
1 |
293 |
2.8 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
56 |
|
[BGC]A:709 |
1 |
1 |
290 |
f |
[BGC]A:707 |
x,y,z |
1_555 |
2 |
1 |
293 |
2.7 |
0.1 |
0.219 |
0 |
0 |
0 |
0.000 |
| Average: |
3.2 |
0.1 |
0.192 |
0 |
0 |
0 |
0.000 |
| 32 |
57 |
|
[BGC]A:706 |
1 |
1 |
306 |
f |
[BGC]A:704 |
x,y,z |
1_555 |
1 |
1 |
290 |
2.1 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
58 |
|
[BGC]A:705 |
1 |
1 |
296 |
f |
[BGC]A:703 |
x,y,z |
1_555 |
1 |
1 |
292 |
2.0 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
59 |
|
[BGC]B:705 |
1 |
1 |
296 |
f |
[BGC]B:703 |
x,y,z |
1_555 |
1 |
1 |
294 |
2.0 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
60 |
|
[BGC]B:706 |
1 |
1 |
303 |
f |
[BGC]B:704 |
x,y,z |
1_555 |
1 |
1 |
292 |
1.5 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
| Average: |
1.9 |
0.1 |
0.178 |
0 |
0 |
0 |
0.000 |
| 33 |
61 |
|
[BGC]A:703 |
1 |
1 |
292 |
f |
[BGC]A:701 |
x,y,z |
1_555 |
1 |
1 |
293 |
1.6 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
62 |
|
[BGC]B:703 |
1 |
1 |
294 |
f |
[BGC]B:701 |
x,y,z |
1_555 |
1 |
1 |
292 |
1.3 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
| Average: |
1.5 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
| 34 |
63 |
|
[BGC]B:710 |
1 |
1 |
292 |
f |
[BGC]B:708 |
x,y,z |
1_555 |
1 |
1 |
293 |
1.0 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
64 |
|
[BGC]A:710 |
1 |
1 |
292 |
f |
[BGC]A:708 |
x,y,z |
1_555 |
1 |
1 |
292 |
0.8 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
| Average: |
0.9 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
| 35 |
65 |
|
[BGC]A:704 |
1 |
1 |
290 |
f |
[BGC]A:702 |
x,y,z |
1_555 |
1 |
1 |
294 |
0.4 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
66 |
|
[BGC]B:704 |
1 |
1 |
292 |
f |
[BGC]B:702 |
x,y,z |
1_555 |
1 |
1 |
294 |
0.3 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
| Average: |
0.4 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
|