| ## |
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 |
|
A |
91 |
32 |
15593 |
◊ |
B |
x,y,z-1 |
1_554 |
96 |
25 |
15641 |
906.3 |
-2.0 |
0.684 |
9 |
11 |
0 |
0.000 |
2 |
|
A |
86 |
24 |
15593 |
◊ |
B |
x-1,y,z-1 |
1_454 |
78 |
28 |
15641 |
778.1 |
-2.9 |
0.631 |
10 |
11 |
0 |
0.000 |
| Average: |
842.2 |
-2.4 |
0.657 |
10 |
11 |
0 |
0.000 |
| 2 |
3 |
|
[ACO]A:1338 |
46 |
1 |
992 |
f |
A |
x,y,z |
1_555 |
84 |
27 |
15593 |
618.4 |
-4.7 |
0.495 |
17 |
0 |
0 |
0.091 |
4 |
|
[ACO]B:1342 |
47 |
1 |
994 |
f |
B |
x,y,z |
1_555 |
82 |
25 |
15641 |
616.0 |
-4.3 |
0.477 |
15 |
0 |
0 |
0.091 |
| Average: |
617.2 |
-4.5 |
0.486 |
16 |
0 |
0 |
0.091 |
| 3 |
5 |
|
B |
52 |
19 |
15641 |
◊ |
A |
x,y-1,z |
1_545 |
56 |
18 |
15593 |
525.7 |
-5.7 |
0.265 |
5 |
0 |
0 |
0.000 |
6 |
|
B |
39 |
13 |
15641 |
◊ |
A |
x-1,y-1,z |
1_445 |
35 |
10 |
15593 |
321.6 |
-1.0 |
0.518 |
3 |
0 |
0 |
0.000 |
| Average: |
423.6 |
-3.3 |
0.392 |
4 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
48 |
15 |
15641 |
◊ |
A |
x,y,z |
1_555 |
41 |
13 |
15593 |
409.1 |
-0.6 |
0.685 |
4 |
4 |
0 |
0.000 |
| 5 |
8 |
|
[CMP]B:400 |
22 |
1 |
458 |
f |
B |
x,y,z |
1_555 |
49 |
20 |
15641 |
312.1 |
-0.5 |
0.541 |
9 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[CMP]A:400 |
22 |
1 |
459 |
f |
A |
x,y,z |
1_555 |
46 |
19 |
15593 |
312.0 |
-0.3 |
0.558 |
10 |
0 |
0 |
0.035 |
| 7 |
10 |
|
A |
36 |
11 |
15593 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
33 |
9 |
15641 |
303.6 |
-0.1 |
0.688 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[PEG]B:1339 |
7 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
15641 |
146.1 |
3.9 |
0.443 |
3 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[PEG]A:1337 |
7 |
1 |
256 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
15593 |
134.9 |
2.8 |
0.387 |
3 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[PEG]B:1340 |
7 |
1 |
248 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
15641 |
130.0 |
2.8 |
0.450 |
4 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[EDO]A:1336 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
15593 |
118.6 |
3.2 |
0.483 |
2 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[PEG]B:1337 |
7 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15641 |
116.2 |
1.2 |
0.172 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[PEG]B:1338 |
7 |
1 |
249 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
15641 |
114.0 |
4.1 |
0.486 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
A |
10 |
2 |
15593 |
◊ |
[ACO]B:1342 |
x-1,y-1,z-1 |
1_444 |
17 |
1 |
994 |
111.1 |
-0.3 |
0.659 |
1 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[EDO]B:1334 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
15641 |
109.8 |
2.8 |
0.492 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]B:1333 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
15641 |
103.3 |
3.1 |
0.419 |
4 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[ACT]B:1341 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
15641 |
101.5 |
-0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
B |
12 |
6 |
15641 |
x |
B |
x,y-1,z |
1_545 |
14 |
5 |
15641 |
98.9 |
-1.8 |
0.276 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
13 |
4 |
15593 |
x |
A |
x-1,y-1,z |
1_445 |
8 |
4 |
15593 |
94.6 |
0.1 |
0.648 |
2 |
2 |
0 |
0.000 |
| Average: |
96.8 |
-0.8 |
0.462 |
1 |
1 |
0 |
0.000 |
| 19 |
23 |
|
[EDO]B:1336 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
15641 |
94.5 |
3.3 |
0.544 |
1 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[EDO]B:1335 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
15641 |
93.1 |
3.4 |
0.330 |
4 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[EDO]A:1334 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
15593 |
85.4 |
2.5 |
0.485 |
3 |
0 |
0 |
0.000 |
| 22 |
26 |
|
A |
7 |
2 |
15593 |
x |
A |
x,y-1,z |
1_545 |
9 |
4 |
15593 |
78.7 |
1.4 |
0.856 |
1 |
2 |
0 |
0.000 |
27 |
|
B |
4 |
3 |
15641 |
x |
B |
x-1,y-1,z |
1_445 |
3 |
2 |
15641 |
17.3 |
0.3 |
0.735 |
0 |
0 |
0 |
0.000 |
| Average: |
48.0 |
0.9 |
0.796 |
1 |
1 |
0 |
0.000 |
| 23 |
28 |
|
[EDO]A:1335 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
15593 |
74.4 |
1.4 |
0.257 |
1 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[EDO]A:1334 |
4 |
1 |
184 |
f |
B |
x-1,y,z-1 |
1_454 |
8 |
3 |
15641 |
66.8 |
1.1 |
0.186 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
B |
9 |
4 |
15641 |
f |
[EDO]A:1335 |
x-1,y-1,z |
1_445 |
4 |
1 |
184 |
61.5 |
0.6 |
0.482 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[EDO]A:1333 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
15593 |
59.2 |
1.2 |
0.658 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[ACO]A:1338 |
7 |
1 |
992 |
◊ |
[ACO]B:1342 |
x-1,y-1,z-1 |
1_444 |
6 |
1 |
994 |
57.6 |
-5.7 |
0.149 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[ACO]A:1338 |
9 |
1 |
992 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
4 |
1 |
15641 |
57.0 |
1.7 |
0.770 |
1 |
0 |
0 |
0.000 |
| 29 |
34 |
|
A |
7 |
4 |
15593 |
◊ |
[PEG]B:1337 |
x,y,z-1 |
1_554 |
4 |
1 |
256 |
55.1 |
1.5 |
0.388 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[ACO]B:1342 |
5 |
1 |
994 |
f |
[PEG]B:1340 |
x,y,z |
1_555 |
5 |
1 |
248 |
53.6 |
0.9 |
0.314 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[PEG]A:1337 |
4 |
1 |
256 |
f |
B |
x,y,z-1 |
1_554 |
6 |
1 |
15641 |
48.9 |
1.0 |
0.296 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[ACT]B:1341 |
2 |
1 |
182 |
f |
[PEG]B:1340 |
x,y,z |
1_555 |
5 |
1 |
248 |
35.8 |
0.4 |
0.268 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[EDO]A:1335 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
15641 |
33.4 |
1.4 |
0.915 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[PEG]A:1337 |
5 |
1 |
256 |
f |
[PEG]B:1337 |
x,y,z-1 |
1_554 |
3 |
1 |
256 |
30.4 |
0.5 |
0.091 |
1 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[EDO]B:1336 |
2 |
1 |
185 |
f |
[CMP]B:400 |
x,y,z |
1_555 |
3 |
1 |
458 |
26.1 |
0.9 |
0.728 |
1 |
0 |
0 |
0.000 |
| 36 |
41 |
|
B |
3 |
2 |
15641 |
f |
[PEG]B:1339 |
x,y-1,z |
1_545 |
2 |
1 |
261 |
19.2 |
0.3 |
0.311 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
[PEG]B:1338 |
1 |
1 |
249 |
f |
[EDO]B:1336 |
x,y,z |
1_555 |
2 |
1 |
185 |
11.2 |
0.5 |
0.655 |
0 |
0 |
0 |
0.000 |
| 38 |
43 |
|
A |
1 |
1 |
15593 |
◊ |
[ACT]B:1341 |
x,y,z-1 |
1_554 |
1 |
1 |
182 |
2.9 |
-0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
|