## |
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 |
54 |
15 |
3112 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
3108 |
592.7 |
-10.7 |
0.241 |
5 |
3 |
0 |
0.308 |
2 |
2 |
|
A |
30 |
10 |
3108 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
31 |
10 |
3112 |
328.7 |
-6.0 |
0.283 |
2 |
4 |
0 |
0.020 |
3 |
3 |
|
A |
19 |
6 |
3108 |
x |
A |
x-1/2,-y+3/2,-z |
4_465 |
23 |
7 |
3108 |
235.8 |
-6.2 |
0.141 |
0 |
0 |
0 |
0.000 |
4 |
|
B |
18 |
6 |
3112 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
25 |
6 |
3112 |
217.6 |
-5.3 |
0.248 |
0 |
0 |
0 |
0.000 |
Average: |
226.7 |
-5.8 |
0.195 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
20 |
6 |
3108 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
5 |
3112 |
147.9 |
0.8 |
0.832 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
A |
13 |
4 |
3108 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
10 |
3 |
3112 |
109.2 |
-0.5 |
0.684 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
8 |
2 |
3112 |
x |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
8 |
3 |
3112 |
78.5 |
0.4 |
0.751 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[ACE]B:447 |
3 |
1 |
172 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
3112 |
76.9 |
-0.4 |
0.808 |
2 |
0 |
0 |
0.033 |
8 |
9 |
|
[ACE]A:447 |
3 |
1 |
173 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
3108 |
76.2 |
-0.3 |
0.812 |
2 |
0 |
0 |
0.032 |
9 |
10 |
|
[ACT]B:502 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
3112 |
74.5 |
0.4 |
0.777 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[SO4]B:501 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
3112 |
72.1 |
-10.2 |
0.767 |
2 |
0 |
0 |
0.290 |
11 |
12 |
|
[ACT]A:502 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
3108 |
68.4 |
-0.7 |
0.684 |
1 |
0 |
0 |
0.030 |
12 |
13 |
|
A |
9 |
3 |
3108 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
2 |
3112 |
67.1 |
-0.4 |
0.653 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[SO4]A:501 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
3108 |
63.8 |
-8.8 |
0.869 |
2 |
0 |
0 |
0.255 |
14 |
15 |
|
B |
10 |
3 |
3112 |
◊ |
[SO4]A:501 |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
1 |
184 |
54.7 |
-7.1 |
0.788 |
2 |
0 |
0 |
0.210 |
15 |
16 |
|
[ACT]B:502 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
3108 |
50.7 |
-0.1 |
0.714 |
1 |
0 |
0 |
0.013 |
16 |
17 |
|
[NH2]A:478 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
5 |
2 |
3108 |
49.9 |
0.2 |
0.660 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
A |
7 |
2 |
3108 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
3108 |
44.6 |
0.5 |
0.807 |
1 |
2 |
0 |
0.000 |
18 |
19 |
|
A |
7 |
3 |
3108 |
◊ |
[SO4]B:501 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
44.5 |
-5.1 |
0.890 |
2 |
0 |
0 |
0.000 |
19 |
20 |
|
[ACT]A:502 |
3 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
3112 |
41.3 |
-0.2 |
0.683 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
A |
5 |
1 |
3108 |
◊ |
[SO4]B:501 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
40.4 |
-4.9 |
0.771 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
B |
5 |
2 |
3112 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
5 |
2 |
3108 |
39.8 |
-1.3 |
0.369 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[ACT]A:502 |
4 |
1 |
184 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
4 |
3 |
3112 |
38.2 |
-0.6 |
0.586 |
0 |
0 |
0 |
0.002 |
23 |
24 |
|
[SO4]A:501 |
4 |
1 |
184 |
f |
[ACE]A:447 |
x,y,z |
1_555 |
2 |
1 |
173 |
34.5 |
-4.3 |
0.942 |
0 |
0 |
0 |
0.114 |
24 |
25 |
|
B |
7 |
2 |
3112 |
◊ |
[ACE]A:447 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
173 |
28.9 |
-0.8 |
0.636 |
0 |
0 |
0 |
0.020 |
25 |
26 |
|
[NH2]A:478 |
1 |
1 |
117 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
1 |
3112 |
24.1 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
A |
5 |
3 |
3108 |
◊ |
[ACT]B:502 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
183 |
23.8 |
-0.2 |
0.720 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[ACT]A:502 |
3 |
1 |
184 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
4 |
3 |
3108 |
21.5 |
-0.3 |
0.599 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
B |
1 |
1 |
3112 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
3108 |
21.1 |
-0.5 |
0.318 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
A |
2 |
1 |
3108 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
1 |
3112 |
12.4 |
-0.4 |
0.470 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[SO4]A:501 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
3112 |
10.5 |
-1.5 |
0.523 |
0 |
0 |
0 |
0.033 |
31 |
32 |
|
B |
4 |
4 |
3112 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
2 |
3108 |
9.8 |
-0.2 |
0.627 |
0 |
0 |
0 |
0.007 |
32 |
33 |
|
[NH2]A:478 |
1 |
1 |
117 |
◊ |
[ACT]B:502 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
183 |
4.8 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
A |
1 |
1 |
3108 |
◊ |
[ACE]B:447 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
172 |
3.0 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[ACT]B:502 |
1 |
1 |
183 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
3112 |
1.0 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
|