## |
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 |
115 |
26 |
16858 |
◊ |
A |
x,y,z-1 |
1_554 |
117 |
25 |
16848 |
1062.1 |
-5.8 |
0.353 |
13 |
2 |
0 |
0.000 |
2 |
|
B |
110 |
24 |
16858 |
◊ |
A |
x,y,z |
1_555 |
103 |
26 |
16848 |
1023.8 |
-6.5 |
0.332 |
12 |
1 |
0 |
0.000 |
Average: |
1043.0 |
-6.1 |
0.343 |
13 |
2 |
0 |
0.000 |
2 |
3 |
|
B |
72 |
22 |
16858 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
83 |
23 |
16848 |
720.9 |
-0.1 |
0.724 |
8 |
4 |
0 |
0.000 |
4 |
|
B |
75 |
20 |
16858 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
65 |
24 |
16848 |
668.8 |
-1.9 |
0.567 |
7 |
2 |
0 |
0.000 |
Average: |
694.9 |
-1.0 |
0.645 |
8 |
3 |
0 |
0.000 |
3 |
5 |
|
[6H3]B:401 |
32 |
1 |
672 |
cf |
B |
x,y,z |
1_555 |
54 |
22 |
16858 |
431.5 |
-9.3 |
0.432 |
0 |
0 |
0 |
0.050 |
6 |
|
[6H3]A:401 |
31 |
1 |
627 |
cf |
A |
x,y,z |
1_555 |
52 |
21 |
16848 |
415.1 |
-9.7 |
0.373 |
1 |
0 |
0 |
0.050 |
Average: |
423.3 |
-9.5 |
0.402 |
1 |
0 |
0 |
0.050 |
4 |
7 |
|
B |
37 |
13 |
16858 |
◊ |
A |
x-1,y,z-1 |
1_454 |
47 |
13 |
16848 |
424.7 |
0.7 |
0.722 |
9 |
2 |
0 |
0.000 |
5 |
8 |
|
[EWH]A:402 |
29 |
1 |
685 |
f |
A |
x,y,z |
1_555 |
33 |
12 |
16848 |
262.8 |
-6.7 |
0.202 |
1 |
0 |
0 |
0.022 |
6 |
9 |
|
B |
24 |
9 |
16858 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
7 |
16848 |
182.6 |
1.5 |
0.800 |
4 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
20 |
6 |
16848 |
x |
A |
x,y,z-1 |
1_554 |
13 |
3 |
16848 |
145.8 |
-3.0 |
0.163 |
1 |
0 |
0 |
0.000 |
11 |
|
B |
19 |
6 |
16858 |
x |
B |
x,y,z-1 |
1_554 |
13 |
4 |
16858 |
143.3 |
-2.8 |
0.191 |
1 |
0 |
0 |
0.000 |
Average: |
144.5 |
-2.9 |
0.177 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
[EDO]B:405 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
16858 |
120.9 |
3.1 |
0.403 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
[6H3]B:401 |
8 |
1 |
672 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
15 |
6 |
16848 |
116.3 |
-1.9 |
0.554 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
[EDO]B:403 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
16858 |
107.5 |
2.5 |
0.267 |
2 |
0 |
0 |
0.000 |
11 |
15 |
|
[SO4]B:402 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
16858 |
96.4 |
-12.9 |
0.914 |
4 |
0 |
0 |
0.079 |
12 |
16 |
|
[SO4]A:403 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
16848 |
93.6 |
-12.7 |
0.915 |
4 |
0 |
0 |
0.045 |
13 |
17 |
|
[EDO]A:405 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
16848 |
92.6 |
2.2 |
0.242 |
1 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]A:404 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
16848 |
89.9 |
2.2 |
0.433 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
B |
11 |
4 |
16858 |
◊ |
[6H3]A:401 |
-x+2,y-1/2,-z |
2_745 |
9 |
1 |
627 |
87.6 |
0.1 |
0.775 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]B:404 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
16858 |
83.9 |
2.9 |
0.328 |
4 |
0 |
0 |
0.000 |
17 |
21 |
|
B |
9 |
4 |
16858 |
f |
[EDO]A:404 |
x-1,y,z-1 |
1_454 |
3 |
1 |
181 |
55.6 |
1.4 |
0.249 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
B |
4 |
2 |
16858 |
◊ |
[EWH]A:402 |
x-1,y,z |
1_455 |
2 |
1 |
685 |
18.4 |
0.6 |
0.707 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]A:405 |
3 |
1 |
185 |
f |
[SO4]A:403 |
x,y,z |
1_555 |
1 |
1 |
186 |
18.3 |
-2.0 |
0.894 |
1 |
0 |
0 |
0.008 |
20 |
24 |
|
[EDO]B:404 |
2 |
1 |
185 |
f |
A |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
16848 |
5.2 |
0.2 |
0.896 |
0 |
0 |
0 |
0.000 |
|