## |
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 |
51 |
9 |
2329 |
◊ |
A |
x,y,z |
1_555 |
48 |
9 |
2321 |
429.9 |
-1.6 |
0.632 |
20 |
0 |
0 |
0.503 |
2 |
|
D |
43 |
9 |
2328 |
◊ |
C |
x,y,z |
1_555 |
42 |
9 |
2309 |
404.1 |
-2.8 |
0.554 |
20 |
0 |
0 |
0.503 |
Average: |
417.0 |
-2.2 |
0.593 |
20 |
0 |
0 |
0.503 |
2 |
3 |
|
[BRU]D:18 |
19 |
1 |
466 |
cf |
D |
x,y,z |
1_555 |
27 |
2 |
2328 |
228.4 |
2.8 |
0.685 |
0 |
0 |
0 |
0.000 |
4 |
|
[BRU]B:18 |
20 |
1 |
464 |
cf |
B |
x,y,z |
1_555 |
25 |
2 |
2329 |
228.1 |
2.3 |
0.663 |
0 |
0 |
0 |
0.000 |
5 |
|
[BRU]A:8 |
19 |
1 |
462 |
cf |
A |
x,y,z |
1_555 |
26 |
2 |
2321 |
226.4 |
2.4 |
0.679 |
0 |
0 |
0 |
0.000 |
6 |
|
[BRU]C:8 |
19 |
1 |
468 |
cf |
C |
x,y,z |
1_555 |
26 |
2 |
2309 |
224.3 |
2.9 |
0.685 |
0 |
0 |
0 |
0.000 |
Average: |
226.8 |
2.6 |
0.678 |
0 |
0 |
0 |
0.000 |
3 |
7 |
|
D |
15 |
2 |
2328 |
◊ |
A |
x,y,z-1 |
1_554 |
11 |
2 |
2321 |
119.5 |
-2.5 |
0.408 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
11 |
2 |
2329 |
◊ |
C |
x,y-1,z |
1_545 |
15 |
2 |
2309 |
119.3 |
-2.3 |
0.419 |
0 |
0 |
0 |
0.000 |
9 |
|
D |
13 |
2 |
2328 |
◊ |
A |
x,y,z |
1_555 |
15 |
2 |
2321 |
118.6 |
-2.1 |
0.445 |
0 |
0 |
0 |
0.000 |
10 |
|
B |
16 |
3 |
2329 |
◊ |
C |
x,y-1,z+1 |
1_546 |
13 |
2 |
2309 |
116.2 |
-1.8 |
0.463 |
0 |
0 |
0 |
0.000 |
Average: |
118.4 |
-2.2 |
0.434 |
0 |
0 |
0 |
0.000 |
4 |
11 |
|
D |
14 |
1 |
2328 |
x |
D |
x,y-1,z |
1_545 |
13 |
1 |
2328 |
102.3 |
2.8 |
0.761 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
13 |
1 |
2309 |
x |
C |
x,y-1,z |
1_545 |
14 |
1 |
2309 |
101.5 |
3.1 |
0.775 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
12 |
1 |
2321 |
x |
A |
x,y-1,z |
1_545 |
14 |
1 |
2321 |
100.8 |
3.0 |
0.776 |
0 |
0 |
0 |
0.000 |
14 |
|
B |
14 |
1 |
2329 |
x |
B |
x,y-1,z |
1_545 |
13 |
1 |
2329 |
98.6 |
3.0 |
0.777 |
0 |
0 |
0 |
0.000 |
Average: |
100.8 |
3.0 |
0.772 |
0 |
0 |
0 |
0.000 |
5 |
15 |
|
[BRU]C:8 |
9 |
1 |
468 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
2328 |
80.4 |
1.8 |
0.641 |
2 |
0 |
0 |
0.000 |
16 |
|
[BRU]D:18 |
9 |
1 |
466 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
2309 |
79.9 |
1.9 |
0.642 |
1 |
0 |
0 |
0.000 |
17 |
|
[BRU]B:18 |
8 |
1 |
464 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
2321 |
79.6 |
1.9 |
0.653 |
2 |
0 |
0 |
0.000 |
18 |
|
[BRU]A:8 |
8 |
1 |
462 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
2329 |
78.6 |
1.9 |
0.649 |
2 |
0 |
0 |
0.000 |
Average: |
79.6 |
1.9 |
0.646 |
2 |
0 |
0 |
0.000 |
6 |
19 |
|
C |
6 |
2 |
2309 |
◊ |
B |
x,y,z-1 |
1_554 |
11 |
2 |
2329 |
64.4 |
-0.6 |
0.495 |
0 |
0 |
0 |
0.000 |
20 |
|
A |
11 |
3 |
2321 |
◊ |
D |
x,y-1,z |
1_545 |
6 |
2 |
2328 |
62.3 |
-0.7 |
0.487 |
0 |
0 |
0 |
0.000 |
21 |
|
C |
11 |
2 |
2309 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
2329 |
61.9 |
-0.6 |
0.494 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
4 |
1 |
2321 |
◊ |
D |
x,y-1,z+1 |
1_546 |
10 |
3 |
2328 |
58.8 |
-0.5 |
0.508 |
0 |
0 |
0 |
0.000 |
Average: |
61.9 |
-0.6 |
0.496 |
0 |
0 |
0 |
0.000 |
7 |
23 |
|
D |
8 |
2 |
2328 |
◊ |
B |
x-1,y,z-1 |
1_454 |
7 |
2 |
2329 |
52.1 |
-1.3 |
0.415 |
0 |
0 |
0 |
0.004 |
8 |
24 |
|
D |
8 |
3 |
2328 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
7 |
2 |
2321 |
51.2 |
-0.6 |
0.460 |
0 |
0 |
0 |
0.002 |
9 |
25 |
|
[NA]D:103 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
2 |
2328 |
50.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.299 |
10 |
26 |
|
[NA]A:102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
2329 |
50.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.575 |
27 |
|
[NA]A:102 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
2321 |
49.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.575 |
Average: |
50.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.575 |
11 |
28 |
|
[NA]C:102 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
2329 |
45.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.688 |
12 |
29 |
|
[NA]C:102 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
2309 |
39.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
13 |
30 |
|
[NA]D:103 |
1 |
1 |
125 |
f |
[BRU]D:18 |
x,y,z |
1_555 |
6 |
1 |
466 |
39.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.208 |
14 |
31 |
|
B |
4 |
1 |
2329 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
1 |
2321 |
37.6 |
-0.7 |
0.433 |
0 |
0 |
0 |
0.000 |
32 |
|
D |
4 |
1 |
2328 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
1 |
2309 |
36.0 |
-0.9 |
0.414 |
0 |
0 |
0 |
0.000 |
Average: |
36.8 |
-0.8 |
0.423 |
0 |
0 |
0 |
0.000 |
15 |
33 |
|
[NA]D:102 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
2328 |
35.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.195 |
16 |
34 |
|
[NA]D:103 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
2309 |
30.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.085 |
17 |
35 |
|
[MG]C:101 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
2328 |
29.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.189 |
18 |
36 |
|
[NA]D:102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
2329 |
28.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.011 |
19 |
37 |
|
C |
5 |
2 |
2309 |
◊ |
A |
x-1,y,z-1 |
1_454 |
3 |
1 |
2321 |
27.8 |
-1.5 |
0.328 |
0 |
0 |
0 |
0.004 |
20 |
38 |
|
[MG]A:101 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
2321 |
27.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.837 |
39 |
|
[MG]A:101 |
1 |
1 |
98 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
2 |
2329 |
26.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.837 |
40 |
|
C |
6 |
3 |
2309 |
◊ |
[MG]D:101 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
26.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.837 |
41 |
|
[MG]D:101 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
2328 |
25.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.837 |
Average: |
26.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.837 |
21 |
42 |
|
[MG]C:101 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
2309 |
27.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.111 |
22 |
43 |
|
C |
5 |
1 |
2309 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
1 |
2328 |
26.9 |
-1.1 |
0.400 |
0 |
0 |
0 |
0.111 |
44 |
|
A |
5 |
1 |
2321 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
1 |
2329 |
24.3 |
-0.8 |
0.435 |
0 |
0 |
0 |
0.111 |
Average: |
25.6 |
-1.0 |
0.418 |
0 |
0 |
0 |
0.111 |
23 |
45 |
|
B |
3 |
2 |
2329 |
◊ |
[BRU]C:8 |
x,y-1,z |
1_545 |
2 |
1 |
468 |
23.9 |
-1.2 |
0.306 |
0 |
0 |
0 |
0.000 |
46 |
|
[BRU]D:18 |
1 |
1 |
466 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
2321 |
22.7 |
-1.2 |
0.259 |
0 |
0 |
0 |
0.000 |
47 |
|
[BRU]A:8 |
2 |
1 |
462 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2328 |
18.4 |
-1.0 |
0.229 |
0 |
0 |
0 |
0.000 |
Average: |
21.7 |
-1.1 |
0.265 |
0 |
0 |
0 |
0.000 |
24 |
48 |
|
[NA]D:102 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2321 |
20.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
49 |
|
B |
1 |
1 |
2329 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
1 |
2321 |
19.0 |
-1.2 |
0.260 |
0 |
0 |
0 |
0.000 |
26 |
50 |
|
[NA]D:102 |
1 |
1 |
125 |
◊ |
[BRU]A:8 |
x,y,z |
1_555 |
2 |
1 |
462 |
16.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
51 |
|
[BRU]B:18 |
1 |
1 |
464 |
◊ |
C |
x,y-1,z+1 |
1_546 |
1 |
1 |
2309 |
15.6 |
-0.9 |
0.237 |
0 |
0 |
0 |
0.000 |
28 |
52 |
|
[NA]D:102 |
1 |
1 |
125 |
◊ |
[NA]C:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.013 |
29 |
53 |
|
D |
2 |
1 |
2328 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
2328 |
14.2 |
-1.4 |
0.217 |
0 |
0 |
0 |
0.000 |
30 |
54 |
|
D |
3 |
1 |
2328 |
◊ |
[BRU]C:8 |
x-1,y,z |
1_455 |
1 |
1 |
468 |
13.4 |
-1.3 |
0.277 |
0 |
0 |
0 |
0.000 |
31 |
55 |
|
A |
2 |
1 |
2321 |
◊ |
[BRU]C:8 |
x,y-1,z |
1_545 |
1 |
1 |
468 |
11.6 |
-0.3 |
0.310 |
0 |
0 |
0 |
0.000 |
56 |
|
[BRU]D:18 |
1 |
1 |
466 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
2329 |
3.4 |
-0.2 |
0.322 |
0 |
0 |
0 |
0.000 |
57 |
|
[BRU]A:8 |
1 |
1 |
462 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2309 |
1.9 |
-0.1 |
0.288 |
0 |
0 |
0 |
0.000 |
Average: |
5.6 |
-0.2 |
0.307 |
0 |
0 |
0 |
0.000 |
32 |
58 |
|
[MG]C:101 |
1 |
1 |
98 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
2 |
1 |
2321 |
11.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.005 |
33 |
59 |
|
[BRU]A:8 |
1 |
1 |
462 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
2321 |
10.1 |
-1.1 |
0.186 |
0 |
0 |
0 |
0.000 |
34 |
60 |
|
[NA]C:102 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
2328 |
9.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
35 |
61 |
|
[BRU]B:18 |
1 |
1 |
464 |
◊ |
D |
x,y-1,z+1 |
1_546 |
1 |
1 |
2328 |
8.3 |
-0.4 |
0.249 |
0 |
0 |
0 |
0.000 |
36 |
62 |
|
[MG]A:101 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2329 |
7.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
D |
1 |
1 |
2328 |
◊ |
[MG]D:101 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
6.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
|
[MG]A:101 |
1 |
1 |
98 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
2321 |
5.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
6.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
65 |
|
C |
3 |
1 |
2309 |
◊ |
[MG]C:101 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
7.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.033 |
38 |
66 |
|
C |
1 |
1 |
2309 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
1 |
1 |
2321 |
5.3 |
-0.4 |
0.191 |
0 |
0 |
0 |
0.001 |
39 |
67 |
|
B |
1 |
1 |
2329 |
◊ |
[NA]C:102 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
1.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
68 |
|
[NA]D:103 |
1 |
1 |
125 |
◊ |
[NA]C:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|