| ## |
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 |
88 |
22 |
6519 |
◊ |
A |
x,y,z |
1_555 |
95 |
26 |
6368 |
867.6 |
-5.8 |
0.441 |
3 |
4 |
0 |
0.005 |
| 2 |
2 |
|
A |
37 |
10 |
6368 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
36 |
9 |
6519 |
269.3 |
-3.4 |
0.357 |
0 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[NAG]C:1 |
15 |
1 |
369 |
◊ |
A |
x,y,z |
1_555 |
34 |
15 |
6368 |
203.6 |
4.3 |
0.444 |
5 |
0 |
0 |
0.000 |
4 |
|
[NAG]D:1 |
15 |
1 |
372 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
6519 |
179.6 |
3.1 |
0.353 |
4 |
0 |
0 |
0.000 |
| Average: |
191.6 |
3.7 |
0.398 |
5 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
20 |
8 |
6368 |
◊ |
B |
x-1,y,z-1 |
1_454 |
28 |
10 |
6519 |
201.1 |
-1.1 |
0.487 |
1 |
0 |
0 |
0.000 |
6 |
|
A |
22 |
9 |
6368 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
7 |
6519 |
169.7 |
-1.5 |
0.438 |
1 |
0 |
0 |
0.000 |
| Average: |
185.4 |
-1.3 |
0.463 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[NAG]D:3 |
12 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
6519 |
142.5 |
4.4 |
0.463 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[NAG]C:3 |
12 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
6368 |
141.3 |
4.5 |
0.500 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[NAG]C:2 |
12 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
6368 |
124.4 |
2.4 |
0.285 |
3 |
0 |
0 |
0.000 |
10 |
|
[NAG]D:2 |
12 |
1 |
359 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
6519 |
119.0 |
2.4 |
0.280 |
3 |
0 |
0 |
0.000 |
| Average: |
121.7 |
2.4 |
0.283 |
3 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
15 |
6 |
6368 |
f |
[BGC]B:3001 |
-x+2,y-1/2,-z+1 |
2_746 |
9 |
1 |
306 |
114.6 |
0.9 |
0.291 |
1 |
0 |
0 |
0.000 |
12 |
|
[BGC]B:2001 |
9 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
6519 |
113.9 |
0.9 |
0.269 |
1 |
0 |
0 |
0.000 |
| Average: |
114.2 |
0.9 |
0.280 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[BGC]B:3001 |
10 |
1 |
306 |
◊ |
B |
x,y,z |
1_555 |
22 |
5 |
6519 |
114.1 |
1.2 |
0.303 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
A |
20 |
4 |
6368 |
◊ |
[BGC]B:2001 |
-x+2,y-1/2,-z+1 |
2_746 |
10 |
1 |
307 |
113.2 |
1.4 |
0.329 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[NAG]C:2 |
10 |
1 |
362 |
cf |
[NAG]C:1 |
x,y,z |
1_555 |
7 |
1 |
369 |
72.3 |
1.9 |
0.101 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
A |
8 |
5 |
6368 |
f |
[NAG]D:3 |
x-1,y,z |
1_455 |
5 |
1 |
362 |
70.0 |
1.9 |
0.550 |
1 |
0 |
0 |
0.000 |
17 |
|
[NAG]C:3 |
6 |
1 |
362 |
f |
B |
x-1,y,z-1 |
1_454 |
10 |
6 |
6519 |
69.6 |
1.9 |
0.494 |
0 |
0 |
0 |
0.000 |
| Average: |
69.8 |
1.9 |
0.522 |
1 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[NAG]C:3 |
10 |
1 |
362 |
cf |
[NAG]C:2 |
x,y,z |
1_555 |
6 |
1 |
362 |
68.0 |
1.4 |
0.084 |
0 |
0 |
0 |
0.000 |
19 |
|
[NAG]D:3 |
10 |
1 |
362 |
cf |
[NAG]D:2 |
x,y,z |
1_555 |
6 |
1 |
359 |
65.9 |
1.4 |
0.075 |
0 |
0 |
0 |
0.000 |
| Average: |
67.0 |
1.4 |
0.080 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[NAG]D:2 |
10 |
1 |
359 |
cf |
[NAG]D:1 |
x,y,z |
1_555 |
5 |
1 |
372 |
65.9 |
1.9 |
0.117 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[PT]B:1202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6519 |
58.5 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.058 |
22 |
|
[PT]A:1206 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
6368 |
56.1 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.058 |
23 |
|
[PT]A:1201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
6368 |
53.5 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.058 |
| Average: |
56.1 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.058 |
| 16 |
24 |
|
[PT]A:1205 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6368 |
48.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| 17 |
25 |
|
[PT]A:1211 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6368 |
47.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 18 |
26 |
|
A |
4 |
1 |
6368 |
x |
A |
x-1,y,z |
1_455 |
6 |
3 |
6368 |
46.5 |
0.2 |
0.656 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[NAG]D:1 |
5 |
1 |
372 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
6368 |
46.0 |
1.4 |
0.349 |
2 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[PT]A:1206 |
1 |
1 |
125 |
f |
[PT]A:1201 |
x,y,z |
1_555 |
1 |
1 |
125 |
44.4 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.016 |
| 21 |
29 |
|
A |
8 |
3 |
6368 |
f |
[PT]D:1213 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
37.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.020 |
30 |
|
[PT]C:1212 |
1 |
1 |
125 |
f |
B |
x-1,y,z-1 |
1_454 |
6 |
2 |
6519 |
26.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.020 |
31 |
|
A |
5 |
2 |
6368 |
f |
[PT]D:1214 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
23.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
28.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.020 |
| 22 |
32 |
|
[NAG]D:2 |
6 |
1 |
359 |
f |
[PT]D:1213 |
x,y,z |
1_555 |
1 |
1 |
125 |
33.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.021 |
33 |
|
[NAG]C:2 |
5 |
1 |
362 |
f |
[PT]C:1212 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.021 |
34 |
|
[NAG]D:2 |
5 |
1 |
359 |
f |
[PT]D:1214 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
31.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.021 |
| 23 |
35 |
|
[PT]D:1214 |
1 |
1 |
125 |
f |
[PT]D:1213 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.0 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.012 |
| 24 |
36 |
|
[NAG]C:1 |
4 |
1 |
369 |
f |
[PT]C:1212 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.021 |
37 |
|
[NAG]D:1 |
3 |
1 |
372 |
f |
[PT]D:1214 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
24.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.021 |
| 25 |
38 |
|
[PT]C:1212 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6368 |
29.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[PT]D:1214 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
6519 |
24.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[PT]D:1213 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6519 |
4.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
19.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
41 |
|
[NAG]D:1 |
2 |
1 |
372 |
◊ |
[PT]A:1205 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
42 |
|
[NAG]C:2 |
5 |
1 |
362 |
f |
B |
x-1,y,z-1 |
1_454 |
2 |
2 |
6519 |
16.5 |
0.2 |
0.235 |
0 |
0 |
0 |
0.000 |
43 |
|
A |
2 |
2 |
6368 |
f |
[NAG]D:2 |
x-1,y,z |
1_455 |
5 |
1 |
359 |
9.8 |
0.1 |
0.237 |
0 |
0 |
0 |
0.000 |
| Average: |
13.1 |
0.2 |
0.236 |
0 |
0 |
0 |
0.000 |
| 28 |
44 |
|
[PT]A:1205 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6519 |
14.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| 29 |
45 |
|
A |
2 |
1 |
6368 |
◊ |
[PT]A:1205 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
13.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
46 |
|
[NAG]D:1 |
3 |
1 |
372 |
f |
[PT]D:1213 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.002 |
| 31 |
47 |
|
B |
2 |
1 |
6519 |
x |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
6519 |
9.9 |
0.4 |
0.793 |
0 |
0 |
0 |
0.000 |
| 32 |
48 |
|
[NAG]C:1 |
1 |
1 |
369 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6519 |
7.4 |
0.0 |
0.423 |
0 |
0 |
0 |
0.000 |
| 33 |
49 |
|
[NAG]D:2 |
1 |
1 |
359 |
◊ |
[PT]A:1205 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|