| ## |
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 |
103 |
26 |
6708 |
◊ |
A |
x,y,z |
1_555 |
96 |
26 |
6407 |
883.4 |
-10.5 |
0.405 |
16 |
14 |
0 |
1.000 |
| 2 |
2 |
|
B |
56 |
19 |
6708 |
◊ |
B |
-x-1,y,-z-1/2 |
3_454 |
56 |
19 |
6708 |
523.5 |
-9.7 |
0.180 |
6 |
0 |
0 |
0.781 |
| 3 |
3 |
|
B |
41 |
14 |
6708 |
◊ |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
44 |
15 |
6407 |
330.3 |
-4.4 |
0.400 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
22 |
6 |
6708 |
◊ |
A |
-x-1,y,-z-1/2 |
3_454 |
27 |
8 |
6407 |
190.9 |
-3.5 |
0.304 |
0 |
0 |
0 |
0.442 |
| 5 |
5 |
|
[DMS]B:200 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
6708 |
142.5 |
2.8 |
0.585 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
17 |
7 |
6407 |
◊ |
A |
-x-1,y,-z-1/2 |
3_454 |
17 |
7 |
6407 |
135.4 |
-3.8 |
0.160 |
0 |
0 |
0 |
0.242 |
| 7 |
7 |
|
[DMS]A:203 |
4 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
6407 |
133.4 |
2.7 |
0.508 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[DMS]A:201 |
4 |
1 |
205 |
◊ |
A |
x,y,z |
1_555 |
26 |
11 |
6407 |
131.1 |
2.7 |
0.541 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[EDO]A:308 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
6407 |
101.9 |
3.2 |
0.745 |
5 |
0 |
0 |
0.000 |
| 10 |
10 |
|
B |
14 |
8 |
6708 |
◊ |
[DMS]A:202 |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
4 |
1 |
207 |
95.3 |
2.9 |
0.554 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
B |
14 |
9 |
6708 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
7 |
4 |
6407 |
93.1 |
0.8 |
0.803 |
1 |
1 |
0 |
0.000 |
| 12 |
12 |
|
[EDO]A:302 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
6407 |
92.9 |
2.4 |
0.457 |
2 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[EDO]B:302 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
6708 |
92.7 |
3.0 |
0.468 |
1 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[EDO]B:309 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
6708 |
92.1 |
3.1 |
0.326 |
5 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[DMS]B:204 |
4 |
1 |
205 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
6407 |
91.3 |
1.2 |
0.435 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[DMS]A:204 |
4 |
1 |
205 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
6708 |
88.9 |
0.9 |
0.425 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
A |
6 |
4 |
6407 |
◊ |
A |
x,-y,-z |
4_555 |
6 |
4 |
6407 |
82.8 |
-2.5 |
0.084 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[EDO]A:306 |
4 |
1 |
184 |
f |
A |
-x-1,y,-z-1/2 |
3_454 |
12 |
5 |
6407 |
79.3 |
1.5 |
0.228 |
1 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[EDO]A:301 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
6407 |
72.8 |
1.8 |
0.309 |
3 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:301 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
6708 |
72.5 |
1.8 |
0.874 |
2 |
0 |
0 |
0.000 |
| Average: |
72.6 |
1.8 |
0.592 |
3 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[EDO]B:300 |
4 |
1 |
183 |
◊ |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
15 |
4 |
6407 |
71.0 |
1.5 |
0.246 |
2 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[EDO]B:303 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
6708 |
71.0 |
2.1 |
0.294 |
1 |
0 |
0 |
0.000 |
| 22 |
23 |
|
B |
16 |
4 |
6708 |
f |
[EDO]A:300 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
4 |
1 |
185 |
67.4 |
1.5 |
0.250 |
2 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[EDO]B:300 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
6708 |
65.2 |
1.5 |
0.269 |
2 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[EDO]B:307 |
3 |
1 |
183 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
10 |
4 |
6407 |
65.0 |
1.7 |
0.267 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[EDO]B:303 |
4 |
1 |
184 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
9 |
3 |
6407 |
62.2 |
1.1 |
0.687 |
1 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[EDO]A:300 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
6407 |
61.2 |
1.4 |
0.268 |
2 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[EDO]A:306 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
6407 |
59.6 |
1.2 |
0.241 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[EDO]A:305 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
6407 |
56.2 |
1.3 |
0.282 |
1 |
0 |
0 |
0.000 |
| 29 |
30 |
|
B |
11 |
6 |
6708 |
◊ |
[EDO]A:305 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
3 |
1 |
184 |
55.9 |
1.3 |
0.282 |
1 |
0 |
0 |
0.000 |
| 30 |
31 |
|
B |
6 |
3 |
6708 |
◊ |
[EDO]A:304 |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
4 |
1 |
185 |
55.0 |
1.0 |
0.604 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[DMS]B:204 |
4 |
1 |
205 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
6708 |
54.9 |
0.1 |
0.318 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[EDO]A:304 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
6407 |
53.7 |
1.7 |
0.952 |
2 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[DMS]A:204 |
4 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
6407 |
52.2 |
0.3 |
0.317 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
B |
5 |
2 |
6708 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
8_444 |
7 |
3 |
6407 |
45.2 |
-0.7 |
0.471 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
B |
8 |
2 |
6708 |
◊ |
[EDO]A:301 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
4 |
1 |
185 |
41.0 |
1.1 |
0.847 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]B:301 |
4 |
1 |
185 |
◊ |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
8 |
3 |
6407 |
38.2 |
1.0 |
0.835 |
0 |
0 |
0 |
0.000 |
| Average: |
39.6 |
1.0 |
0.841 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[EDO]B:307 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
6708 |
38.6 |
0.6 |
0.828 |
1 |
0 |
0 |
0.000 |
| 37 |
39 |
|
B |
5 |
2 |
6708 |
◊ |
[EDO]A:302 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
2 |
1 |
185 |
38.4 |
1.0 |
0.908 |
1 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[DMS]A:202 |
3 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
6407 |
37.7 |
1.1 |
0.435 |
1 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[EDO]A:308 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6708 |
36.8 |
0.5 |
0.491 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[EDO]A:304 |
3 |
1 |
185 |
f |
A |
x,-y,-z |
4_555 |
4 |
3 |
6407 |
31.8 |
0.2 |
0.525 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
[DMS]B:204 |
3 |
1 |
205 |
◊ |
B |
-x-1,y,-z-1/2 |
3_454 |
2 |
1 |
6708 |
30.6 |
0.5 |
0.174 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
[EDO]B:302 |
3 |
1 |
184 |
f |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
5 |
2 |
6407 |
30.6 |
0.7 |
0.898 |
1 |
0 |
0 |
0.000 |
| 43 |
45 |
|
[EDO]B:301 |
2 |
1 |
185 |
◊ |
[EDO]A:301 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
2 |
1 |
185 |
29.3 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 44 |
46 |
|
[EDO]B:307 |
3 |
1 |
183 |
◊ |
[EDO]A:304 |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
2 |
1 |
185 |
29.1 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 45 |
47 |
|
[EDO]B:301 |
2 |
1 |
185 |
◊ |
[EDO]A:305 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
4 |
1 |
184 |
26.9 |
1.7 |
0.707 |
0 |
0 |
0 |
0.000 |
| 46 |
48 |
|
[EDO]A:305 |
4 |
1 |
184 |
f |
[EDO]A:301 |
x,y,z |
1_555 |
2 |
1 |
185 |
25.7 |
1.6 |
0.707 |
0 |
0 |
0 |
0.000 |
| 47 |
49 |
|
[EDO]B:303 |
2 |
1 |
184 |
◊ |
[DMS]A:202 |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
2 |
1 |
207 |
23.2 |
1.5 |
0.661 |
0 |
0 |
0 |
0.000 |
| 48 |
50 |
|
[EDO]A:302 |
3 |
1 |
185 |
◊ |
[EDO]A:300 |
x,y,z |
1_555 |
2 |
1 |
185 |
15.0 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 49 |
51 |
|
[EDO]B:302 |
3 |
1 |
184 |
◊ |
[EDO]B:300 |
x,y,z |
1_555 |
2 |
1 |
183 |
13.8 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 50 |
52 |
|
[EDO]A:304 |
1 |
1 |
185 |
◊ |
[EDO]A:300 |
x,-y,-z |
4_555 |
2 |
1 |
185 |
12.4 |
0.8 |
0.707 |
0 |
0 |
0 |
0.000 |
| 51 |
53 |
|
[EDO]B:307 |
1 |
1 |
183 |
◊ |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
2 |
1 |
6407 |
7.7 |
0.2 |
0.787 |
0 |
0 |
0 |
0.000 |
| 52 |
54 |
|
[EDO]A:308 |
1 |
1 |
185 |
f |
[DMS]A:201 |
x,y,z |
1_555 |
1 |
1 |
205 |
1.3 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.005 |
| 53 |
55 |
|
[EDO]B:303 |
1 |
1 |
184 |
f |
[EDO]A:304 |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
2 |
1 |
185 |
1.1 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|