## |
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 |
90 |
22 |
14834 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
102 |
29 |
14499 |
880.6 |
-3.9 |
0.480 |
4 |
3 |
0 |
0.000 |
2 |
|
B |
87 |
22 |
14834 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
77 |
24 |
14499 |
757.7 |
-3.2 |
0.501 |
10 |
2 |
0 |
0.000 |
Average: |
819.2 |
-3.6 |
0.490 |
7 |
3 |
0 |
0.000 |
2 |
3 |
|
B |
53 |
17 |
14834 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
50 |
17 |
14499 |
552.4 |
-10.5 |
0.025 |
2 |
0 |
0 |
0.013 |
3 |
4 |
|
[93J]B:401 |
33 |
1 |
735 |
f |
B |
x,y,z |
1_555 |
64 |
22 |
14834 |
481.9 |
-9.3 |
0.431 |
2 |
0 |
0 |
0.052 |
5 |
|
[93J]A:401 |
32 |
1 |
731 |
f |
A |
x,y,z |
1_555 |
67 |
22 |
14499 |
479.3 |
-9.9 |
0.398 |
2 |
0 |
0 |
0.052 |
Average: |
480.6 |
-9.6 |
0.415 |
2 |
0 |
0 |
0.052 |
4 |
6 |
|
B |
51 |
19 |
14834 |
◊ |
A |
x,y,z |
1_555 |
44 |
11 |
14499 |
394.7 |
-3.9 |
0.335 |
3 |
1 |
0 |
0.000 |
5 |
7 |
|
B |
38 |
12 |
14834 |
◊ |
A |
x-1,y,z |
1_455 |
45 |
12 |
14499 |
371.8 |
1.9 |
0.811 |
4 |
0 |
0 |
0.000 |
6 |
8 |
|
[SO4]B:404 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14834 |
86.3 |
-14.1 |
0.614 |
2 |
0 |
0 |
0.029 |
7 |
9 |
|
[EDO]A:405 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
14499 |
82.4 |
2.7 |
0.500 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14499 |
74.5 |
-6.6 |
0.955 |
4 |
0 |
0 |
0.041 |
9 |
11 |
|
[EDO]A:403 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14499 |
72.3 |
3.1 |
0.971 |
5 |
0 |
0 |
0.000 |
10 |
12 |
|
[SO4]B:402 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
14834 |
69.9 |
-6.9 |
0.966 |
3 |
0 |
0 |
0.016 |
11 |
13 |
|
[SO4]B:403 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14834 |
69.7 |
-10.0 |
0.769 |
4 |
0 |
0 |
0.022 |
12 |
14 |
|
[EDO]A:404 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14499 |
65.6 |
1.3 |
0.790 |
4 |
0 |
0 |
0.002 |
13 |
15 |
|
[SO4]B:404 |
4 |
1 |
186 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
7 |
4 |
14499 |
59.1 |
-7.5 |
0.767 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
[EDO]B:406 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14834 |
58.3 |
0.8 |
0.648 |
2 |
0 |
0 |
0.000 |
15 |
17 |
|
[SO4]B:405 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
14834 |
55.8 |
-5.9 |
0.914 |
3 |
0 |
0 |
0.000 |
16 |
18 |
|
B |
8 |
4 |
14834 |
◊ |
[EDO]A:405 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
182 |
53.6 |
1.2 |
0.765 |
1 |
0 |
0 |
0.000 |
17 |
19 |
|
[SO4]B:405 |
4 |
1 |
185 |
f |
B |
x-1,y,z |
1_455 |
7 |
4 |
14834 |
50.8 |
-6.9 |
0.648 |
1 |
0 |
0 |
0.014 |
18 |
20 |
|
B |
6 |
2 |
14834 |
x |
B |
x-1,y,z |
1_455 |
7 |
3 |
14834 |
44.2 |
0.9 |
0.775 |
1 |
1 |
0 |
0.000 |
19 |
21 |
|
[93J]B:401 |
2 |
1 |
735 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14499 |
39.2 |
-0.9 |
0.356 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
A |
4 |
3 |
14499 |
x |
A |
x-1,y,z |
1_455 |
5 |
1 |
14499 |
26.9 |
0.0 |
0.533 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
[SO4]B:403 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14499 |
23.7 |
-2.7 |
0.896 |
1 |
0 |
0 |
0.000 |
22 |
24 |
|
B |
5 |
3 |
14834 |
f |
[EDO]A:405 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
182 |
14.0 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[SO4]A:402 |
1 |
1 |
185 |
f |
[93J]A:401 |
x,y,z |
1_555 |
1 |
1 |
731 |
12.6 |
-1.8 |
0.623 |
0 |
0 |
0 |
0.009 |
24 |
26 |
|
[EDO]B:406 |
2 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14499 |
7.7 |
0.5 |
0.957 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[SO4]B:405 |
1 |
1 |
185 |
◊ |
[EDO]A:405 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
182 |
0.7 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|