| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
142 |
39 |
21058 |
◊ |
A |
x,-y,-z |
4_555 |
142 |
39 |
21058 |
1362.3 |
-27.2 |
0.399 |
6 |
0 |
0 |
0.369 |
2 |
|
[78M]A:523 |
22 |
1 |
621 |
f |
A |
x,y,z |
1_555 |
47 |
20 |
21058 |
379.0 |
-1.3 |
0.442 |
0 |
0 |
0 |
0.032 |
3 |
|
A |
42 |
10 |
21058 |
x |
A |
x-1/2,-y+1/2,-z |
8_455 |
39 |
14 |
21058 |
370.9 |
-6.2 |
0.514 |
1 |
0 |
0 |
0.000 |
4 |
|
[78M]A:515 |
22 |
1 |
616 |
f |
A |
x,y,z |
1_555 |
45 |
15 |
21058 |
316.8 |
-2.6 |
0.423 |
1 |
0 |
0 |
0.074 |
5 |
|
[78M]A:522 |
21 |
1 |
601 |
f |
A |
x,y,z |
1_555 |
42 |
14 |
21058 |
313.4 |
-2.5 |
0.453 |
2 |
0 |
0 |
0.085 |
6 |
|
[78M]A:521 |
22 |
1 |
621 |
f |
A |
x,y,z |
1_555 |
38 |
16 |
21058 |
303.5 |
-3.9 |
0.302 |
0 |
0 |
0 |
0.098 |
7 |
|
[78M]A:514 |
22 |
1 |
616 |
f |
A |
x,y,z |
1_555 |
38 |
12 |
21058 |
300.7 |
-2.6 |
0.405 |
4 |
0 |
0 |
0.109 |
8 |
|
[78M]A:518 |
21 |
1 |
612 |
f |
A |
x,y,z |
1_555 |
31 |
12 |
21058 |
285.3 |
-1.0 |
0.389 |
0 |
0 |
0 |
0.025 |
9 |
|
[78M]A:520 |
21 |
1 |
609 |
f |
A |
x,y,z |
1_555 |
32 |
13 |
21058 |
284.7 |
0.3 |
0.544 |
1 |
0 |
0 |
0.003 |
10 |
|
[78M]A:512 |
19 |
1 |
615 |
f |
A |
x,y,z |
1_555 |
36 |
13 |
21058 |
267.0 |
-0.1 |
0.609 |
0 |
0 |
0 |
0.002 |
11 |
|
[78M]A:509 |
21 |
1 |
609 |
f |
A |
x,y,z |
1_555 |
34 |
11 |
21058 |
263.2 |
-0.8 |
0.491 |
0 |
0 |
0 |
0.019 |
12 |
|
[78M]A:504 |
19 |
1 |
615 |
f |
A |
x,y,z |
1_555 |
35 |
11 |
21058 |
261.2 |
0.5 |
0.604 |
2 |
0 |
0 |
0.010 |
13 |
|
[78M]A:524 |
21 |
1 |
615 |
f |
A |
x,y,z |
1_555 |
32 |
10 |
21058 |
258.3 |
-0.3 |
0.506 |
2 |
0 |
0 |
0.029 |
14 |
|
[78M]A:510 |
21 |
1 |
612 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
21058 |
256.8 |
-3.8 |
0.291 |
1 |
0 |
0 |
0.106 |
15 |
|
[78M]A:511 |
22 |
1 |
612 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
29 |
10 |
21058 |
255.4 |
-1.9 |
0.395 |
1 |
0 |
0 |
0.000 |
16 |
|
[78M]A:519 |
22 |
1 |
625 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
21058 |
246.1 |
-0.3 |
0.435 |
0 |
0 |
0 |
0.007 |
17 |
|
[78M]A:508 |
18 |
1 |
596 |
f |
A |
x,y,z |
1_555 |
38 |
12 |
21058 |
245.2 |
-2.1 |
0.512 |
0 |
0 |
0 |
0.051 |
18 |
|
[78M]A:517 |
18 |
1 |
623 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
21058 |
231.0 |
-2.8 |
0.253 |
1 |
0 |
0 |
0.079 |
19 |
|
[78M]A:506 |
20 |
1 |
631 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
21058 |
225.9 |
-0.9 |
0.373 |
0 |
0 |
0 |
0.022 |
20 |
|
[78M]A:516 |
18 |
1 |
620 |
f |
A |
x-1/2,-y+1/2,-z |
8_455 |
23 |
9 |
21058 |
212.9 |
-2.7 |
0.260 |
0 |
0 |
0 |
0.068 |
21 |
|
A |
23 |
6 |
21058 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
24 |
6 |
21058 |
209.4 |
-0.3 |
0.880 |
2 |
2 |
0 |
0.000 |
22 |
|
[78M]A:507 |
17 |
1 |
604 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
21058 |
207.8 |
1.6 |
0.656 |
3 |
0 |
0 |
0.000 |
23 |
|
[78M]A:513 |
19 |
1 |
622 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
22 |
8 |
21058 |
183.4 |
-1.8 |
0.307 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
21 |
7 |
21058 |
x |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
20 |
8 |
21058 |
171.3 |
-1.8 |
0.756 |
1 |
0 |
0 |
0.000 |
25 |
|
[78M]A:511 |
17 |
1 |
612 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
21058 |
159.4 |
-1.1 |
0.465 |
3 |
0 |
0 |
0.061 |
26 |
|
[PE5]A:526 |
9 |
1 |
326 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
21058 |
150.9 |
3.9 |
0.617 |
0 |
0 |
0 |
0.000 |
27 |
|
[78M]A:505 |
17 |
1 |
612 |
◊ |
[78M]A:507 |
x-1/2,-y+1/2,-z |
8_455 |
17 |
1 |
604 |
144.0 |
2.7 |
0.485 |
0 |
0 |
0 |
0.000 |
28 |
|
[78M]A:513 |
16 |
1 |
622 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
21058 |
135.9 |
-0.3 |
0.362 |
2 |
0 |
0 |
0.031 |
29 |
|
[78M]A:513 |
18 |
1 |
622 |
f |
[78M]A:509 |
x,y,z |
1_555 |
15 |
1 |
609 |
130.0 |
2.5 |
0.427 |
0 |
0 |
0 |
0.000 |
30 |
|
[PE5]A:525 |
8 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
21058 |
129.2 |
-0.1 |
0.747 |
0 |
0 |
0 |
0.001 |
31 |
|
[78M]A:506 |
17 |
1 |
631 |
◊ |
[78M]A:505 |
x,y,z |
1_555 |
14 |
1 |
612 |
124.8 |
2.5 |
0.456 |
0 |
0 |
0 |
0.000 |
32 |
|
[78M]A:505 |
12 |
1 |
612 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
13 |
5 |
21058 |
117.1 |
-0.9 |
0.279 |
0 |
0 |
0 |
0.000 |
33 |
|
[78M]A:516 |
13 |
1 |
620 |
◊ |
[78M]A:513 |
x,y,z |
1_555 |
15 |
1 |
622 |
110.3 |
2.8 |
0.450 |
1 |
0 |
0 |
0.000 |
34 |
|
[78M]A:516 |
13 |
1 |
620 |
◊ |
[78M]A:509 |
x,y,z |
1_555 |
14 |
1 |
609 |
109.1 |
3.6 |
0.518 |
0 |
0 |
0 |
0.000 |
35 |
|
[78M]A:508 |
14 |
1 |
596 |
◊ |
A |
x,-y,-z |
4_555 |
11 |
3 |
21058 |
104.0 |
-0.1 |
0.359 |
0 |
0 |
0 |
0.003 |
36 |
|
[78M]A:517 |
12 |
1 |
623 |
f |
[78M]A:506 |
x,y,z |
1_555 |
11 |
1 |
631 |
96.6 |
3.8 |
0.572 |
1 |
0 |
0 |
0.000 |
37 |
|
[78M]A:519 |
11 |
1 |
625 |
f |
[78M]A:514 |
x,y,z |
1_555 |
7 |
1 |
616 |
94.5 |
2.8 |
0.554 |
0 |
0 |
0 |
0.000 |
38 |
|
[78M]A:505 |
11 |
1 |
612 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
21058 |
93.4 |
1.6 |
0.535 |
1 |
0 |
0 |
0.000 |
39 |
|
[78M]A:523 |
15 |
1 |
621 |
f |
[78M]A:518 |
x,y,z |
1_555 |
11 |
1 |
612 |
92.8 |
2.3 |
0.473 |
0 |
0 |
0 |
0.000 |
40 |
|
[78M]A:521 |
9 |
1 |
621 |
f |
[78M]A:510 |
x,y,z |
1_555 |
9 |
1 |
612 |
88.4 |
3.0 |
0.557 |
0 |
0 |
0 |
0.000 |
41 |
|
[78M]A:520 |
10 |
1 |
609 |
◊ |
[78M]A:507 |
x,y,z |
1_555 |
7 |
1 |
604 |
88.2 |
1.3 |
0.464 |
0 |
0 |
0 |
0.000 |
42 |
|
[78M]A:523 |
8 |
1 |
621 |
f |
[78M]A:515 |
x,y,z |
1_555 |
9 |
1 |
616 |
87.4 |
0.0 |
0.351 |
0 |
0 |
0 |
0.000 |
43 |
|
[PO4]A:503 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
21058 |
84.9 |
-5.2 |
0.918 |
4 |
0 |
0 |
0.174 |
44 |
|
[78M]A:517 |
6 |
1 |
623 |
f |
[78M]A:511 |
x,y,z |
1_555 |
8 |
1 |
612 |
72.5 |
-0.1 |
0.343 |
0 |
0 |
0 |
0.003 |
45 |
|
[78M]A:519 |
9 |
1 |
625 |
f |
[78M]A:508 |
x,y,z |
1_555 |
7 |
1 |
596 |
71.0 |
0.5 |
0.411 |
0 |
0 |
0 |
0.000 |
46 |
|
[78M]A:522 |
8 |
1 |
601 |
◊ |
A |
x,-y,-z |
4_555 |
8 |
3 |
21058 |
70.3 |
0.6 |
0.451 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
8 |
4 |
21058 |
f |
[78M]A:505 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
8 |
1 |
612 |
66.0 |
-1.9 |
0.273 |
1 |
0 |
0 |
0.059 |
48 |
|
[78M]A:513 |
10 |
1 |
622 |
f |
[78M]A:506 |
x,y,z |
1_555 |
6 |
1 |
631 |
59.7 |
-0.0 |
0.321 |
0 |
0 |
0 |
0.000 |
49 |
|
[78M]A:524 |
7 |
1 |
615 |
f |
[78M]A:521 |
x,y,z |
1_555 |
6 |
1 |
621 |
49.1 |
1.9 |
0.511 |
0 |
0 |
0 |
0.000 |
50 |
|
[78M]A:511 |
4 |
1 |
612 |
◊ |
[78M]A:520 |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
609 |
46.6 |
-1.5 |
0.236 |
0 |
0 |
0 |
0.000 |
51 |
|
[PE5]A:526 |
4 |
1 |
326 |
f |
[PE5]A:525 |
x,y,z |
1_555 |
3 |
1 |
296 |
40.5 |
0.8 |
0.439 |
0 |
0 |
0 |
0.000 |
52 |
|
[78M]A:513 |
8 |
1 |
622 |
◊ |
[78M]A:505 |
x,y,z |
1_555 |
5 |
1 |
612 |
39.9 |
0.5 |
0.381 |
0 |
0 |
0 |
0.000 |
53 |
|
[78M]A:520 |
5 |
1 |
609 |
f |
[78M]A:515 |
x,y,z |
1_555 |
6 |
1 |
616 |
36.3 |
0.2 |
0.357 |
0 |
0 |
0 |
0.000 |
54 |
|
[78M]A:517 |
4 |
1 |
623 |
◊ |
[78M]A:507 |
x-1/2,-y+1/2,-z |
8_455 |
4 |
1 |
604 |
32.8 |
0.5 |
0.426 |
0 |
0 |
0 |
0.000 |
55 |
|
[78M]A:517 |
2 |
1 |
623 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
3 |
3 |
21058 |
32.8 |
-1.1 |
0.264 |
0 |
0 |
0 |
0.000 |
56 |
|
[PE5]A:525 |
6 |
1 |
296 |
◊ |
A |
x,-y,-z |
4_555 |
2 |
1 |
21058 |
31.5 |
1.0 |
0.824 |
1 |
0 |
0 |
0.000 |
57 |
|
[78M]A:518 |
4 |
1 |
612 |
f |
[78M]A:515 |
x,y,z |
1_555 |
2 |
1 |
616 |
30.3 |
-0.7 |
0.289 |
0 |
0 |
0 |
0.018 |
58 |
|
[78M]A:506 |
5 |
1 |
631 |
◊ |
[78M]A:507 |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
604 |
30.0 |
0.5 |
0.398 |
0 |
0 |
0 |
0.000 |
59 |
|
[PE5]A:525 |
3 |
1 |
296 |
f |
[78M]A:508 |
x,y,z |
1_555 |
3 |
1 |
596 |
27.0 |
-0.9 |
0.417 |
0 |
0 |
0 |
0.023 |
60 |
|
[78M]A:509 |
4 |
1 |
609 |
f |
[78M]A:506 |
x,y,z |
1_555 |
3 |
1 |
631 |
25.6 |
0.4 |
0.397 |
0 |
0 |
0 |
0.000 |
61 |
|
[78M]A:517 |
5 |
1 |
623 |
◊ |
[78M]A:520 |
x-1/2,-y+1/2,-z |
8_455 |
2 |
1 |
609 |
21.6 |
0.3 |
0.360 |
0 |
0 |
0 |
0.000 |
62 |
|
[78M]A:506 |
2 |
1 |
631 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
2 |
2 |
21058 |
19.4 |
-0.6 |
0.292 |
0 |
0 |
0 |
0.000 |
63 |
|
[78M]A:507 |
2 |
1 |
604 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
2 |
1 |
21058 |
16.1 |
-0.6 |
0.299 |
0 |
0 |
0 |
0.000 |
64 |
|
[78M]A:507 |
1 |
1 |
604 |
◊ |
[78M]A:505 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
2 |
1 |
612 |
12.3 |
-1.4 |
0.142 |
0 |
0 |
0 |
0.000 |
65 |
|
[78M]A:524 |
2 |
1 |
615 |
f |
[78M]A:504 |
x,y,z |
1_555 |
3 |
1 |
615 |
10.8 |
-0.2 |
0.338 |
0 |
0 |
0 |
0.005 |
66 |
|
A |
2 |
1 |
21058 |
◊ |
[PO4]A:503 |
x-1/2,-y+1/2,-z |
8_455 |
2 |
1 |
189 |
10.2 |
-0.7 |
0.678 |
0 |
0 |
0 |
0.000 |
67 |
|
A |
1 |
1 |
21058 |
◊ |
[78M]A:506 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
2 |
1 |
631 |
5.2 |
-0.2 |
0.363 |
0 |
0 |
0 |
0.000 |
68 |
|
[78M]A:522 |
1 |
1 |
601 |
◊ |
[78M]A:522 |
x,-y,-z |
4_555 |
1 |
1 |
601 |
1.4 |
-0.0 |
0.409 |
0 |
0 |
0 |
0.000 |
69 |
|
[78M]A:517 |
1 |
1 |
623 |
◊ |
[78M]A:505 |
x,y,z |
1_555 |
1 |
1 |
612 |
1.0 |
0.1 |
0.409 |
0 |
0 |
0 |
0.000 |
70 |
|
[78M]A:511 |
1 |
1 |
612 |
◊ |
[PO4]A:503 |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
189 |
0.3 |
0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
|