## |
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 |
132 |
40 |
17098 |
◊ |
A |
x,y,z |
1_555 |
133 |
38 |
17219 |
1194.4 |
-5.9 |
0.459 |
13 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
55 |
18 |
17098 |
◊ |
A |
x,y,z-1 |
1_554 |
54 |
18 |
17219 |
450.0 |
-1.1 |
0.562 |
4 |
3 |
0 |
0.000 |
3 |
3 |
|
A |
44 |
16 |
17219 |
◊ |
B |
x-1,y,z |
1_455 |
51 |
16 |
17098 |
407.8 |
-4.6 |
0.186 |
4 |
2 |
0 |
0.000 |
4 |
4 |
|
B |
35 |
11 |
17098 |
x |
B |
x-1,y,z |
1_455 |
38 |
15 |
17098 |
345.9 |
-0.0 |
0.619 |
3 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
28 |
8 |
17219 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
10 |
17098 |
276.3 |
3.7 |
0.917 |
3 |
1 |
0 |
0.000 |
6 |
6 |
|
A |
35 |
10 |
17219 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
27 |
7 |
17219 |
275.2 |
-0.3 |
0.638 |
0 |
3 |
0 |
0.000 |
7 |
7 |
|
B |
34 |
10 |
17098 |
x |
B |
-x,y-1/2,-z |
2_545 |
32 |
11 |
17098 |
251.8 |
-1.3 |
0.502 |
1 |
1 |
0 |
0.000 |
8 |
8 |
|
A |
29 |
9 |
17219 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
8 |
17219 |
213.6 |
-2.0 |
0.377 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
A |
24 |
6 |
17219 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
20 |
7 |
17098 |
207.4 |
-0.9 |
0.502 |
2 |
0 |
0 |
0.000 |
10 |
10 |
|
[BGC]D:2 |
11 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
35 |
14 |
17098 |
188.5 |
3.9 |
0.536 |
6 |
0 |
0 |
0.000 |
11 |
|
[BGC]C:2 |
11 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
34 |
14 |
17219 |
184.6 |
3.6 |
0.535 |
6 |
0 |
0 |
0.000 |
Average: |
186.5 |
3.8 |
0.535 |
6 |
0 |
0 |
0.000 |
11 |
12 |
|
[BGC]C:1 |
12 |
1 |
308 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
17219 |
157.9 |
1.8 |
0.324 |
1 |
0 |
0 |
0.000 |
13 |
|
[BGC]D:1 |
12 |
1 |
306 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
17098 |
150.9 |
2.0 |
0.334 |
0 |
0 |
0 |
0.000 |
Average: |
154.4 |
1.9 |
0.329 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
B |
17 |
6 |
17098 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
15 |
5 |
17098 |
124.8 |
-0.1 |
0.607 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[BU2]B:504 |
6 |
1 |
237 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
17098 |
120.3 |
4.1 |
0.350 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
[SO4]B:501 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
17098 |
102.6 |
-16.4 |
0.682 |
5 |
0 |
0 |
0.125 |
17 |
|
[SO4]A:505 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
17219 |
101.0 |
-15.8 |
0.793 |
5 |
0 |
0 |
0.125 |
Average: |
101.8 |
-16.1 |
0.737 |
5 |
0 |
0 |
0.125 |
15 |
18 |
|
[EDO]A:506 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
17219 |
88.6 |
2.3 |
0.255 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
17098 |
82.8 |
-12.5 |
0.683 |
4 |
0 |
0 |
0.052 |
17 |
20 |
|
A |
12 |
5 |
17219 |
x |
A |
x-1,y,z |
1_455 |
14 |
7 |
17219 |
77.2 |
-0.4 |
0.539 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[ACT]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
17219 |
75.5 |
1.2 |
0.871 |
3 |
0 |
0 |
0.000 |
19 |
22 |
|
[CO2]A:503 |
3 |
1 |
147 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
17219 |
70.1 |
0.5 |
0.462 |
2 |
0 |
0 |
0.003 |
20 |
23 |
|
[SO2]A:501 |
3 |
1 |
158 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17219 |
62.1 |
-0.9 |
0.729 |
2 |
0 |
0 |
0.012 |
21 |
24 |
|
[BGC]D:2 |
6 |
1 |
296 |
cf |
[BGC]D:1 |
x,y,z |
1_555 |
5 |
1 |
306 |
58.4 |
1.8 |
0.210 |
0 |
0 |
0 |
0.000 |
25 |
|
[BGC]C:2 |
6 |
1 |
291 |
cf |
[BGC]C:1 |
x,y,z |
1_555 |
5 |
1 |
308 |
57.2 |
1.8 |
0.214 |
0 |
0 |
0 |
0.000 |
Average: |
57.8 |
1.8 |
0.212 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[EDO]B:503 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17098 |
52.1 |
2.3 |
0.980 |
2 |
0 |
0 |
0.000 |
23 |
27 |
|
[ACT]A:504 |
4 |
1 |
183 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
17098 |
37.9 |
0.4 |
0.816 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[CO2]A:502 |
3 |
1 |
147 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17219 |
36.8 |
0.5 |
0.492 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[CO2]A:502 |
2 |
1 |
147 |
f |
B |
x-1,y,z |
1_455 |
2 |
1 |
17098 |
35.0 |
0.6 |
0.729 |
1 |
0 |
0 |
0.000 |
26 |
30 |
|
A |
3 |
2 |
17219 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
17098 |
31.5 |
0.3 |
0.424 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
A |
3 |
1 |
17219 |
◊ |
[BU2]B:504 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
237 |
29.2 |
1.4 |
0.978 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
[BU2]B:504 |
4 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
17219 |
28.2 |
0.6 |
0.723 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
B |
3 |
1 |
17098 |
f |
[EDO]B:503 |
x-1,y,z |
1_455 |
2 |
1 |
184 |
26.5 |
0.1 |
0.462 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
B |
3 |
1 |
17098 |
◊ |
A |
x-1,y,z-1 |
1_454 |
2 |
1 |
17219 |
24.2 |
0.4 |
0.512 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[BGC]C:2 |
2 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17098 |
10.3 |
0.4 |
0.457 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
A |
3 |
2 |
17219 |
◊ |
[EDO]A:506 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
185 |
8.6 |
0.6 |
0.913 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[EDO]A:506 |
1 |
1 |
185 |
f |
[CO2]A:503 |
x,y,z |
1_555 |
2 |
1 |
147 |
7.6 |
0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[BGC]C:1 |
3 |
1 |
308 |
f |
[SO4]A:505 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.6 |
-0.3 |
0.499 |
0 |
0 |
0 |
0.002 |
|