| ## |
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 |
110 |
29 |
12215 |
◊ |
A |
x,y,z |
1_555 |
111 |
30 |
12536 |
1035.8 |
-7.8 |
0.489 |
9 |
8 |
0 |
0.000 |
| 2 |
2 |
|
A |
63 |
19 |
12536 |
◊ |
A |
-x+1,-y,z |
2_655 |
62 |
19 |
12536 |
633.0 |
-10.8 |
0.076 |
8 |
8 |
0 |
0.525 |
3 |
|
B |
64 |
19 |
12215 |
◊ |
B |
-x+1,-y,z |
2_655 |
63 |
19 |
12215 |
621.3 |
-10.3 |
0.090 |
6 |
8 |
0 |
0.525 |
| Average: |
627.1 |
-10.6 |
0.083 |
7 |
8 |
0 |
0.525 |
| 3 |
4 |
|
A |
66 |
20 |
12536 |
◊ |
B |
x-1/2,-y-1/2,-z-1 |
4_444 |
50 |
18 |
12215 |
537.6 |
-7.5 |
0.146 |
6 |
3 |
0 |
0.000 |
| 4 |
5 |
|
B |
43 |
10 |
12215 |
◊ |
A |
-x+1,-y,z |
2_655 |
46 |
10 |
12536 |
425.5 |
-2.5 |
0.561 |
0 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
16 |
7 |
12215 |
◊ |
A |
x,y,z-1 |
1_554 |
16 |
7 |
12536 |
149.0 |
2.2 |
0.919 |
2 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[GOL]B:410 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
12215 |
134.9 |
-0.8 |
0.452 |
3 |
0 |
0 |
0.159 |
| 7 |
8 |
|
[EDO]A:409 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
12536 |
113.1 |
3.1 |
0.441 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]A:404 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
12536 |
109.1 |
3.4 |
0.528 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[GOL]A:410 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
12536 |
108.7 |
-0.1 |
0.615 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]A:407 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
12536 |
108.2 |
5.0 |
0.603 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]B:405 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
12215 |
108.0 |
5.2 |
0.605 |
2 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]B:403 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
12215 |
107.1 |
3.1 |
0.530 |
1 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]A:405 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
12536 |
106.0 |
2.9 |
0.477 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]A:402 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
12536 |
98.7 |
2.7 |
0.496 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]B:404 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
12215 |
97.6 |
2.2 |
0.279 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]B:406 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
12215 |
97.6 |
2.8 |
0.501 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]A:406 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
12536 |
96.7 |
3.2 |
0.490 |
2 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[EDO]B:402 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
12215 |
93.3 |
3.0 |
0.463 |
1 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[EDO]A:408 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12536 |
90.8 |
2.5 |
0.450 |
2 |
0 |
0 |
0.000 |
21 |
|
[EDO]B:408 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12215 |
89.8 |
2.5 |
0.463 |
3 |
0 |
0 |
0.000 |
| Average: |
90.3 |
2.5 |
0.456 |
3 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]B:407 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
12215 |
86.5 |
1.8 |
0.233 |
2 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[NA]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12536 |
64.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.825 |
24 |
|
[NA]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12215 |
64.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.825 |
| Average: |
64.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.825 |
| 22 |
25 |
|
[EDO]A:403 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12215 |
61.8 |
1.8 |
0.272 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[EDO]B:409 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12215 |
61.7 |
2.0 |
0.856 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[EDO]A:403 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
12536 |
59.8 |
1.7 |
0.275 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[EDO]A:404 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
12215 |
47.1 |
0.5 |
0.656 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[EDO]B:403 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12536 |
45.9 |
0.8 |
0.683 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[EDO]B:409 |
3 |
1 |
184 |
f |
[EDO]B:402 |
x,y,z |
1_555 |
2 |
1 |
183 |
28.2 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[EDO]B:409 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
12536 |
26.7 |
0.6 |
0.874 |
1 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[EDO]B:409 |
2 |
1 |
184 |
f |
[EDO]B:406 |
x,y,z |
1_555 |
2 |
1 |
186 |
22.8 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[GOL]A:410 |
1 |
1 |
218 |
◊ |
B |
-x+1,-y,z |
2_655 |
2 |
2 |
12215 |
7.7 |
0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[EDO]B:404 |
1 |
1 |
185 |
f |
A |
-x+1,-y,z |
2_655 |
1 |
1 |
12536 |
0.4 |
0.0 |
0.759 |
0 |
0 |
0 |
0.000 |
|