| ## |
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 |
|
C |
232 |
59 |
16295 |
◊ |
A |
x,y,z |
1_555 |
228 |
59 |
16488 |
2200.6 |
-17.1 |
0.163 |
32 |
9 |
0 |
0.264 |
2 |
|
D |
231 |
59 |
16324 |
◊ |
B |
x,y,z |
1_555 |
228 |
58 |
16250 |
2200.4 |
-15.8 |
0.173 |
31 |
11 |
0 |
0.264 |
| Average: |
2200.5 |
-16.5 |
0.168 |
32 |
10 |
0 |
0.264 |
| 2 |
3 |
|
D |
111 |
37 |
16324 |
◊ |
C |
x,y,z |
1_555 |
106 |
36 |
16295 |
1070.8 |
-9.3 |
0.191 |
5 |
2 |
0 |
0.088 |
4 |
|
B |
110 |
35 |
16250 |
◊ |
A |
x,y,z |
1_555 |
107 |
36 |
16488 |
1056.4 |
-9.7 |
0.179 |
6 |
2 |
0 |
0.088 |
| Average: |
1063.6 |
-9.5 |
0.185 |
6 |
2 |
0 |
0.088 |
| 3 |
5 |
|
[NAP]B:1369 |
44 |
1 |
929 |
f |
B |
x,y,z |
1_555 |
81 |
32 |
16250 |
613.3 |
-2.5 |
0.494 |
14 |
0 |
0 |
0.124 |
6 |
|
[NAP]D:1369 |
46 |
1 |
926 |
f |
D |
x,y,z |
1_555 |
81 |
32 |
16324 |
610.0 |
-0.7 |
0.611 |
14 |
0 |
0 |
0.124 |
7 |
|
[NAP]C:1369 |
45 |
1 |
929 |
f |
C |
x,y,z |
1_555 |
80 |
32 |
16295 |
607.0 |
-1.5 |
0.590 |
11 |
0 |
0 |
0.124 |
8 |
|
[NAP]A:1369 |
44 |
1 |
925 |
f |
A |
x,y,z |
1_555 |
84 |
32 |
16488 |
605.0 |
-0.6 |
0.633 |
12 |
0 |
0 |
0.124 |
| Average: |
608.8 |
-1.3 |
0.582 |
13 |
0 |
0 |
0.124 |
| 4 |
9 |
|
A |
44 |
12 |
16488 |
◊ |
B |
x-1,y,z |
1_455 |
41 |
11 |
16250 |
325.8 |
-1.7 |
0.502 |
3 |
1 |
0 |
0.000 |
10 |
|
D |
41 |
11 |
16324 |
◊ |
C |
x-1,y,z |
1_455 |
39 |
12 |
16295 |
312.9 |
-0.2 |
0.629 |
3 |
1 |
0 |
0.000 |
| Average: |
319.4 |
-1.0 |
0.565 |
3 |
1 |
0 |
0.000 |
| 5 |
11 |
|
A |
26 |
10 |
16488 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
24 |
9 |
16295 |
236.5 |
1.6 |
0.799 |
3 |
2 |
0 |
0.000 |
12 |
|
A |
22 |
8 |
16488 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
30 |
10 |
16295 |
225.9 |
1.0 |
0.744 |
4 |
2 |
0 |
0.000 |
13 |
|
B |
22 |
9 |
16250 |
◊ |
D |
-x+1,y-1/2,-z-1 |
2_644 |
26 |
9 |
16324 |
219.3 |
1.1 |
0.734 |
5 |
2 |
0 |
0.000 |
14 |
|
B |
23 |
9 |
16250 |
◊ |
D |
-x+2,y-1/2,-z-1 |
2_744 |
21 |
7 |
16324 |
207.4 |
1.8 |
0.809 |
3 |
1 |
0 |
0.000 |
| Average: |
222.3 |
1.4 |
0.771 |
4 |
2 |
0 |
0.000 |
| 6 |
15 |
|
[BGC]B:1368 |
12 |
1 |
305 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
16250 |
181.3 |
2.5 |
0.417 |
9 |
0 |
0 |
0.032 |
16 |
|
[BGC]D:1368 |
12 |
1 |
302 |
f |
D |
x,y,z |
1_555 |
25 |
14 |
16324 |
176.6 |
1.5 |
0.280 |
9 |
0 |
0 |
0.032 |
| Average: |
179.0 |
2.0 |
0.349 |
9 |
0 |
0 |
0.032 |
| 7 |
17 |
|
[BGC]C:1368 |
12 |
1 |
305 |
f |
C |
x,y,z |
1_555 |
28 |
13 |
16295 |
178.0 |
1.3 |
0.323 |
7 |
0 |
0 |
0.025 |
18 |
|
[BGC]A:1368 |
12 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
24 |
14 |
16488 |
174.7 |
2.2 |
0.407 |
8 |
0 |
0 |
0.025 |
| Average: |
176.3 |
1.8 |
0.365 |
8 |
0 |
0 |
0.025 |
| 8 |
19 |
|
C |
13 |
5 |
16295 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
16250 |
133.6 |
-3.5 |
0.063 |
0 |
0 |
0 |
0.022 |
20 |
|
D |
14 |
5 |
16324 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
16488 |
109.5 |
-2.7 |
0.127 |
0 |
0 |
0 |
0.022 |
| Average: |
121.6 |
-3.1 |
0.095 |
0 |
0 |
0 |
0.022 |
| 9 |
21 |
|
[EDO]C:1367 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
16295 |
106.4 |
2.9 |
0.428 |
6 |
0 |
0 |
0.000 |
| 10 |
22 |
|
[EDO]D:1367 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
21 |
6 |
16324 |
106.1 |
2.8 |
0.435 |
6 |
0 |
0 |
0.000 |
| 11 |
23 |
|
[EDO]A:1367 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
16488 |
103.9 |
2.6 |
0.429 |
2 |
0 |
0 |
0.000 |
| 12 |
24 |
|
[EDO]B:1367 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
16250 |
100.2 |
2.9 |
0.460 |
3 |
0 |
0 |
0.000 |
| 13 |
25 |
|
[NAP]A:1369 |
7 |
1 |
925 |
f |
[BGC]A:1368 |
x,y,z |
1_555 |
8 |
1 |
306 |
51.0 |
0.5 |
0.252 |
0 |
0 |
0 |
0.000 |
26 |
|
[NAP]C:1369 |
7 |
1 |
929 |
f |
[BGC]C:1368 |
x,y,z |
1_555 |
7 |
1 |
305 |
49.1 |
0.4 |
0.305 |
0 |
0 |
0 |
0.000 |
| Average: |
50.0 |
0.4 |
0.278 |
0 |
0 |
0 |
0.000 |
| 14 |
27 |
|
[NAP]B:1369 |
6 |
1 |
929 |
f |
[BGC]B:1368 |
x,y,z |
1_555 |
7 |
1 |
305 |
46.6 |
0.6 |
0.289 |
0 |
0 |
0 |
0.000 |
28 |
|
[NAP]D:1369 |
6 |
1 |
926 |
f |
[BGC]D:1368 |
x,y,z |
1_555 |
6 |
1 |
302 |
46.6 |
0.6 |
0.282 |
0 |
0 |
0 |
0.000 |
| Average: |
46.6 |
0.6 |
0.286 |
0 |
0 |
0 |
0.000 |
| 15 |
29 |
|
[ZN]C:1370 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
16295 |
43.0 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.508 |
30 |
|
[ZN]A:1370 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
16488 |
42.9 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.508 |
31 |
|
[ZN]D:1370 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
16324 |
42.9 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.508 |
32 |
|
[ZN]B:1370 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
16250 |
42.7 |
-31.4 |
0.000 |
0 |
0 |
0 |
0.508 |
| Average: |
42.9 |
-31.5 |
0.000 |
0 |
0 |
0 |
0.508 |
| 16 |
33 |
|
[BGC]C:1368 |
2 |
1 |
305 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16488 |
26.7 |
0.9 |
0.513 |
1 |
0 |
0 |
0.000 |
34 |
|
[BGC]A:1368 |
2 |
1 |
306 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16295 |
25.1 |
0.9 |
0.503 |
1 |
0 |
0 |
0.000 |
| Average: |
25.9 |
0.9 |
0.508 |
1 |
0 |
0 |
0.000 |
| 17 |
35 |
|
[NAP]D:1369 |
2 |
1 |
926 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16250 |
22.8 |
-0.0 |
0.234 |
0 |
0 |
0 |
0.000 |
36 |
|
[NAP]C:1369 |
2 |
1 |
929 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16488 |
22.6 |
-0.0 |
0.241 |
0 |
0 |
0 |
0.000 |
37 |
|
[NAP]B:1369 |
2 |
1 |
929 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16324 |
22.6 |
-0.1 |
0.233 |
0 |
0 |
0 |
0.000 |
38 |
|
[NAP]A:1369 |
2 |
1 |
925 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16295 |
22.3 |
-0.0 |
0.239 |
0 |
0 |
0 |
0.000 |
| Average: |
22.6 |
-0.0 |
0.237 |
0 |
0 |
0 |
0.001 |
| 18 |
39 |
|
[BGC]B:1368 |
1 |
1 |
305 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16324 |
19.9 |
1.0 |
0.900 |
0 |
0 |
0 |
0.000 |
40 |
|
[BGC]D:1368 |
1 |
1 |
302 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16250 |
19.2 |
1.0 |
0.898 |
0 |
0 |
0 |
0.000 |
| Average: |
19.6 |
1.0 |
0.899 |
0 |
0 |
0 |
0.000 |
| 19 |
41 |
|
[ZN]B:1370 |
1 |
1 |
98 |
f |
[BGC]B:1368 |
x,y,z |
1_555 |
3 |
1 |
305 |
18.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.123 |
42 |
|
[ZN]D:1370 |
1 |
1 |
98 |
f |
[BGC]D:1368 |
x,y,z |
1_555 |
3 |
1 |
302 |
18.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.123 |
43 |
|
[ZN]A:1370 |
1 |
1 |
98 |
f |
[BGC]A:1368 |
x,y,z |
1_555 |
3 |
1 |
306 |
18.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.123 |
44 |
|
[ZN]C:1370 |
1 |
1 |
98 |
f |
[BGC]C:1368 |
x,y,z |
1_555 |
3 |
1 |
305 |
18.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.123 |
| Average: |
18.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.123 |
| 20 |
45 |
|
[EDO]B:1367 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
16488 |
12.8 |
0.5 |
0.815 |
0 |
0 |
0 |
0.000 |
| 21 |
46 |
|
[EDO]A:1367 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
16250 |
8.6 |
0.1 |
0.489 |
0 |
0 |
0 |
0.000 |
|