| ## |
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 |
|
D |
90 |
24 |
18909 |
◊ |
A |
x,y,z |
1_555 |
97 |
25 |
19301 |
838.6 |
-9.3 |
0.074 |
9 |
0 |
0 |
0.556 |
2 |
|
C |
89 |
24 |
19033 |
◊ |
B |
x,y,z |
1_555 |
87 |
25 |
19130 |
781.5 |
-8.4 |
0.086 |
9 |
0 |
0 |
0.556 |
3 |
|
F |
72 |
20 |
19093 |
◊ |
E |
x,y,z |
1_555 |
76 |
22 |
18863 |
642.5 |
-8.3 |
0.079 |
6 |
0 |
0 |
0.556 |
| Average: |
754.2 |
-8.7 |
0.080 |
8 |
0 |
0 |
0.556 |
| 2 |
4 |
|
D |
83 |
23 |
18909 |
◊ |
C |
x,y,z |
1_555 |
78 |
22 |
19033 |
745.8 |
-5.4 |
0.209 |
9 |
5 |
0 |
0.893 |
5 |
|
E |
81 |
23 |
18863 |
◊ |
C |
x,y,z |
1_555 |
84 |
24 |
19033 |
745.6 |
-5.4 |
0.242 |
9 |
5 |
0 |
0.893 |
6 |
|
F |
85 |
24 |
19093 |
◊ |
B |
x,y,z |
1_555 |
79 |
23 |
19130 |
745.4 |
-5.5 |
0.190 |
10 |
5 |
0 |
0.893 |
7 |
|
B |
81 |
23 |
19130 |
◊ |
A |
x,y,z |
1_555 |
81 |
23 |
19301 |
742.4 |
-4.4 |
0.275 |
9 |
5 |
0 |
0.893 |
8 |
|
E |
82 |
23 |
18863 |
◊ |
D |
x,y,z |
1_555 |
76 |
21 |
18909 |
738.7 |
-4.4 |
0.298 |
10 |
5 |
0 |
0.893 |
9 |
|
F |
78 |
22 |
19093 |
◊ |
A |
x,y,z |
1_555 |
83 |
23 |
19301 |
731.9 |
-4.3 |
0.292 |
9 |
5 |
0 |
0.893 |
| Average: |
741.6 |
-4.9 |
0.251 |
9 |
5 |
0 |
0.893 |
| 3 |
10 |
|
F |
42 |
13 |
19093 |
◊ |
E |
-y+1/2,x-1/2,z-1/4 |
3_544 |
39 |
15 |
18863 |
321.3 |
2.1 |
0.781 |
1 |
0 |
0 |
0.000 |
| 4 |
11 |
|
B |
33 |
11 |
19130 |
◊ |
C |
x-1/2,-y+1/2,-z-3/4 |
6_454 |
33 |
12 |
19033 |
266.5 |
1.5 |
0.730 |
3 |
1 |
0 |
0.000 |
12 |
|
A |
27 |
11 |
19301 |
◊ |
D |
-x+1/2,y-1/2,-z-1/4 |
5_544 |
28 |
9 |
18909 |
252.6 |
0.6 |
0.657 |
4 |
1 |
0 |
0.000 |
| Average: |
259.5 |
1.1 |
0.693 |
4 |
1 |
0 |
0.000 |
| 5 |
13 |
|
[AHR]C:1503 |
10 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
27 |
17 |
19033 |
162.8 |
-0.8 |
0.507 |
3 |
0 |
0 |
0.194 |
14 |
|
[AHR]D:1503 |
10 |
1 |
274 |
f |
D |
x,y,z |
1_555 |
27 |
17 |
18909 |
162.7 |
-0.8 |
0.506 |
3 |
0 |
0 |
0.194 |
15 |
|
[AHR]B:1503 |
10 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
26 |
17 |
19130 |
162.1 |
-0.8 |
0.492 |
3 |
0 |
0 |
0.194 |
16 |
|
[AHR]E:1503 |
10 |
1 |
273 |
f |
E |
x,y,z |
1_555 |
27 |
17 |
18863 |
162.1 |
-0.8 |
0.517 |
3 |
0 |
0 |
0.194 |
17 |
|
[AHR]F:1503 |
10 |
1 |
276 |
f |
F |
x,y,z |
1_555 |
26 |
17 |
19093 |
161.7 |
-0.7 |
0.503 |
3 |
0 |
0 |
0.194 |
18 |
|
[AHR]A:1505 |
10 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
27 |
17 |
19301 |
159.5 |
-0.8 |
0.503 |
3 |
0 |
0 |
0.194 |
| Average: |
161.8 |
-0.8 |
0.504 |
3 |
0 |
0 |
0.194 |
| 6 |
19 |
|
[AHR]B:1504 |
9 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
19130 |
139.7 |
-0.5 |
0.322 |
0 |
0 |
0 |
0.050 |
20 |
|
[AHR]D:1504 |
9 |
1 |
264 |
f |
D |
x,y,z |
1_555 |
25 |
8 |
18909 |
138.2 |
-0.5 |
0.334 |
0 |
0 |
0 |
0.050 |
21 |
|
[AHR]F:1504 |
9 |
1 |
263 |
f |
F |
x,y,z |
1_555 |
25 |
8 |
19093 |
138.0 |
-0.5 |
0.349 |
0 |
0 |
0 |
0.050 |
22 |
|
[AHR]C:1504 |
9 |
1 |
263 |
f |
C |
x,y,z |
1_555 |
24 |
8 |
19033 |
137.8 |
-0.6 |
0.324 |
0 |
0 |
0 |
0.050 |
23 |
|
[AHR]E:1504 |
9 |
1 |
263 |
f |
E |
x,y,z |
1_555 |
25 |
8 |
18863 |
137.3 |
-0.6 |
0.337 |
0 |
0 |
0 |
0.050 |
24 |
|
[AHR]A:1504 |
9 |
1 |
265 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
19301 |
137.1 |
-0.5 |
0.347 |
0 |
0 |
0 |
0.050 |
| Average: |
138.0 |
-0.5 |
0.335 |
0 |
0 |
0 |
0.050 |
| 7 |
25 |
|
[EDO]D:1506 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
18909 |
86.6 |
1.9 |
0.254 |
1 |
0 |
0 |
0.000 |
| 8 |
26 |
|
[EDO]E:1506 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
17 |
7 |
19093 |
84.4 |
2.0 |
0.252 |
1 |
0 |
0 |
0.000 |
| 9 |
27 |
|
[EDO]B:1505 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
19130 |
83.7 |
2.1 |
0.251 |
0 |
0 |
0 |
0.000 |
| 10 |
28 |
|
[EDO]C:1506 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
19033 |
83.6 |
2.2 |
0.280 |
2 |
0 |
0 |
0.000 |
| 11 |
29 |
|
[EDO]E:1506 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
17 |
7 |
18863 |
83.5 |
2.1 |
0.260 |
0 |
0 |
0 |
0.000 |
| 12 |
30 |
|
[EDO]B:1505 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
19033 |
82.6 |
2.0 |
0.255 |
0 |
0 |
0 |
0.000 |
| 13 |
31 |
|
[EDO]E:1507 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
12 |
6 |
18863 |
80.4 |
2.5 |
0.279 |
2 |
0 |
0 |
0.000 |
| 14 |
32 |
|
[EDO]D:1506 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
19301 |
79.8 |
1.9 |
0.257 |
1 |
0 |
0 |
0.000 |
| 15 |
33 |
|
[EDO]B:1506 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
19130 |
79.0 |
2.3 |
0.282 |
2 |
0 |
0 |
0.000 |
| 16 |
34 |
|
[EDO]A:1506 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
19301 |
78.6 |
2.4 |
0.287 |
2 |
0 |
0 |
0.000 |
| 17 |
35 |
|
[EDO]D:1507 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
18909 |
78.3 |
2.6 |
0.282 |
1 |
0 |
0 |
0.000 |
| 18 |
36 |
|
[EDO]F:1505 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
12 |
6 |
19093 |
75.5 |
2.3 |
0.278 |
2 |
0 |
0 |
0.000 |
| 19 |
37 |
|
[AHR]E:1505 |
4 |
1 |
268 |
cf |
[AHR]E:1504 |
x,y,z |
1_555 |
4 |
1 |
263 |
60.6 |
1.2 |
0.486 |
0 |
0 |
0 |
0.000 |
| 20 |
38 |
|
[AHR]A:1504 |
5 |
1 |
265 |
cf |
[AHR]A:1503 |
x,y,z |
1_555 |
5 |
1 |
266 |
59.0 |
1.6 |
0.508 |
0 |
0 |
0 |
0.000 |
| 21 |
39 |
|
[AHR]D:1505 |
4 |
1 |
267 |
cf |
[AHR]D:1504 |
x,y,z |
1_555 |
4 |
1 |
264 |
57.8 |
1.7 |
0.517 |
0 |
0 |
0 |
0.000 |
| 22 |
40 |
|
[AHR]C:1505 |
4 |
1 |
267 |
cf |
[AHR]C:1504 |
x,y,z |
1_555 |
4 |
1 |
263 |
56.3 |
1.9 |
0.537 |
0 |
0 |
0 |
0.000 |
| 23 |
41 |
|
[AHR]F:1504 |
4 |
1 |
263 |
cf |
[AHR]F:1503 |
x,y,z |
1_555 |
5 |
1 |
276 |
48.9 |
2.1 |
0.642 |
0 |
0 |
0 |
0.000 |
42 |
|
[AHR]B:1504 |
4 |
1 |
264 |
cf |
[AHR]B:1503 |
x,y,z |
1_555 |
5 |
1 |
276 |
48.8 |
2.0 |
0.640 |
0 |
0 |
0 |
0.000 |
43 |
|
[AHR]C:1504 |
4 |
1 |
263 |
cf |
[AHR]C:1503 |
x,y,z |
1_555 |
5 |
1 |
275 |
48.8 |
2.1 |
0.640 |
0 |
0 |
0 |
0.000 |
44 |
|
[AHR]A:1505 |
5 |
1 |
274 |
cf |
[AHR]A:1504 |
x,y,z |
1_555 |
4 |
1 |
265 |
48.5 |
2.0 |
0.642 |
0 |
0 |
0 |
0.000 |
45 |
|
[AHR]D:1504 |
4 |
1 |
264 |
cf |
[AHR]D:1503 |
x,y,z |
1_555 |
5 |
1 |
274 |
48.0 |
2.0 |
0.640 |
0 |
0 |
0 |
0.000 |
46 |
|
[AHR]E:1504 |
4 |
1 |
263 |
cf |
[AHR]E:1503 |
x,y,z |
1_555 |
5 |
1 |
273 |
47.8 |
2.0 |
0.640 |
0 |
0 |
0 |
0.000 |
| Average: |
48.5 |
2.0 |
0.641 |
0 |
0 |
0 |
0.000 |
| 24 |
47 |
|
[AHR]A:1503 |
9 |
1 |
266 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
19301 |
48.6 |
0.6 |
0.482 |
0 |
0 |
0 |
0.000 |
| 25 |
48 |
|
[AHR]E:1505 |
2 |
1 |
268 |
f |
E |
x,y,z |
1_555 |
11 |
3 |
18863 |
36.8 |
-0.6 |
0.388 |
0 |
0 |
0 |
0.009 |
| 26 |
49 |
|
[EDO]C:1506 |
3 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
18863 |
33.8 |
1.7 |
0.970 |
1 |
0 |
0 |
0.000 |
| 27 |
50 |
|
[EDO]B:1506 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
19301 |
33.5 |
1.8 |
0.965 |
0 |
0 |
0 |
0.000 |
| 28 |
51 |
|
[EDO]E:1507 |
3 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
18909 |
32.5 |
1.6 |
0.977 |
1 |
0 |
0 |
0.000 |
| 29 |
52 |
|
[EDO]A:1506 |
2 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
19093 |
32.5 |
1.6 |
0.977 |
1 |
0 |
0 |
0.000 |
| 30 |
53 |
|
[AHR]D:1505 |
3 |
1 |
267 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
18909 |
30.2 |
-0.4 |
0.345 |
0 |
0 |
0 |
0.007 |
| 31 |
54 |
|
[AHR]C:1505 |
4 |
1 |
267 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
19033 |
28.7 |
0.2 |
0.393 |
0 |
0 |
0 |
0.000 |
| 32 |
55 |
|
F |
3 |
1 |
19093 |
◊ |
D |
-x+1/2,y-1/2,-z-1/4 |
5_544 |
3 |
1 |
18909 |
28.3 |
0.5 |
0.809 |
0 |
0 |
0 |
0.000 |
| 33 |
56 |
|
[EDO]F:1505 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
19130 |
28.2 |
1.5 |
0.982 |
1 |
0 |
0 |
0.000 |
| 34 |
57 |
|
[EDO]D:1507 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
19033 |
27.9 |
1.3 |
0.983 |
1 |
0 |
0 |
0.000 |
| 35 |
58 |
|
C |
3 |
1 |
19033 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
4 |
1 |
19301 |
25.1 |
0.2 |
0.601 |
0 |
0 |
0 |
0.000 |
| 36 |
59 |
|
B |
1 |
1 |
19130 |
◊ |
E |
x-1/2,-y+1/2,-z-3/4 |
6_454 |
2 |
1 |
18863 |
13.4 |
0.2 |
0.656 |
0 |
0 |
0 |
0.000 |
|