## |
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 |
|
A |
143 |
38 |
8709 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
143 |
40 |
8436 |
1331.6 |
-1.2 |
0.323 |
23 |
8 |
0 |
0.100 |
2 |
|
C |
138 |
37 |
8371 |
◊ |
C |
-x+1,y,-z+2 |
2_657 |
136 |
37 |
8371 |
1266.7 |
-0.1 |
0.411 |
22 |
8 |
0 |
0.100 |
Average: |
1299.1 |
-0.7 |
0.367 |
23 |
8 |
0 |
0.100 |
2 |
3 |
|
B |
75 |
23 |
8436 |
◊ |
A |
x,y,z |
1_555 |
73 |
21 |
8709 |
668.7 |
5.5 |
0.744 |
12 |
7 |
0 |
0.014 |
3 |
4 |
|
C |
64 |
17 |
8371 |
◊ |
A |
x,y,z |
1_555 |
66 |
21 |
8709 |
625.1 |
4.8 |
0.736 |
13 |
13 |
0 |
0.058 |
5 |
|
C |
53 |
17 |
8371 |
◊ |
B |
x,y,z |
1_555 |
50 |
16 |
8436 |
449.7 |
2.2 |
0.618 |
7 |
8 |
0 |
0.058 |
Average: |
537.4 |
3.5 |
0.677 |
10 |
11 |
0 |
0.058 |
4 |
6 |
|
A |
40 |
11 |
8709 |
◊ |
C |
x,y,z-1 |
1_554 |
35 |
11 |
8371 |
348.2 |
2.5 |
0.682 |
7 |
3 |
0 |
0.000 |
7 |
|
B |
34 |
12 |
8436 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
38 |
12 |
8371 |
338.1 |
2.7 |
0.729 |
6 |
2 |
0 |
0.000 |
Average: |
343.2 |
2.6 |
0.706 |
7 |
3 |
0 |
0.000 |
5 |
8 |
|
A |
24 |
10 |
8709 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
31 |
12 |
8436 |
238.9 |
2.7 |
0.737 |
2 |
2 |
0 |
0.000 |
6 |
9 |
|
C |
10 |
4 |
8371 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
10 |
4 |
8436 |
115.7 |
3.0 |
0.906 |
4 |
2 |
0 |
0.000 |
7 |
10 |
|
A |
11 |
3 |
8709 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
13 |
5 |
8709 |
105.6 |
1.4 |
0.653 |
2 |
1 |
0 |
0.000 |
8 |
11 |
|
[EDO]B:202 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
8436 |
103.8 |
2.9 |
0.403 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[SO4]A:2 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
8709 |
97.4 |
-14.4 |
0.621 |
2 |
0 |
0 |
0.225 |
10 |
13 |
|
A |
18 |
7 |
8709 |
◊ |
[EDO]B:201 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
183 |
82.9 |
2.1 |
0.358 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
C |
8 |
3 |
8371 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
10 |
4 |
8709 |
82.5 |
-0.3 |
0.448 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
A |
8 |
3 |
8709 |
◊ |
C |
-x+1/2,y-1/2,-z+2 |
4_547 |
9 |
4 |
8371 |
82.3 |
-1.6 |
0.154 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[SO4]B:203 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
8436 |
80.8 |
-11.7 |
0.836 |
4 |
0 |
0 |
0.198 |
14 |
17 |
|
[EDO]B:200 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
8436 |
78.8 |
2.2 |
0.280 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[SO4]A:1 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
8709 |
77.5 |
-8.9 |
0.845 |
3 |
0 |
0 |
0.150 |
16 |
19 |
|
[EDO]A:200 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
8709 |
69.2 |
1.8 |
0.227 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]B:1 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8436 |
67.6 |
1.6 |
0.801 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
[SO4]A:3 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
8371 |
65.5 |
-7.9 |
0.776 |
1 |
0 |
0 |
0.095 |
19 |
22 |
|
[SO4]A:3 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
8709 |
64.7 |
-8.2 |
0.816 |
2 |
0 |
0 |
0.133 |
20 |
23 |
|
[SO4]B:2 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8436 |
62.3 |
-7.8 |
0.817 |
2 |
0 |
0 |
0.127 |
21 |
24 |
|
[SO4]B:203 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
8709 |
62.1 |
-8.5 |
0.641 |
1 |
0 |
0 |
0.132 |
22 |
25 |
|
B |
7 |
3 |
8436 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
7 |
3 |
8436 |
61.5 |
-0.5 |
0.379 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[SO4]A:1 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
8436 |
46.0 |
-5.8 |
0.763 |
1 |
0 |
0 |
0.092 |
24 |
27 |
|
[EDO]B:201 |
4 |
1 |
183 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
5 |
3 |
8436 |
44.7 |
1.5 |
0.942 |
2 |
0 |
0 |
0.000 |
25 |
28 |
|
[SO4]A:1 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
8371 |
44.5 |
-5.3 |
0.706 |
1 |
0 |
0 |
0.066 |
26 |
29 |
|
[EDO]B:201 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
1 |
8436 |
35.5 |
0.4 |
0.484 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
[EDO]A:200 |
2 |
1 |
185 |
f |
B |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
8436 |
34.5 |
1.6 |
0.953 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[SO4]B:2 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8709 |
33.8 |
-2.8 |
0.963 |
1 |
0 |
0 |
0.047 |
29 |
32 |
|
[EDO]B:200 |
2 |
1 |
185 |
◊ |
[EDO]B:1 |
x,y,z |
1_555 |
2 |
1 |
184 |
32.8 |
1.7 |
0.707 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
C |
3 |
2 |
8371 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
3 |
2 |
8436 |
19.1 |
0.1 |
0.526 |
0 |
0 |
0 |
0.000 |
34 |
|
C |
3 |
3 |
8371 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
2 |
8436 |
7.6 |
0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
Average: |
13.3 |
0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
A |
1 |
1 |
8709 |
◊ |
A |
-x,y,-z+1 |
2_556 |
1 |
1 |
8709 |
9.2 |
0.7 |
0.912 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[EDO]B:200 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
8709 |
8.9 |
0.1 |
0.724 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
B |
1 |
1 |
8436 |
◊ |
B |
-x,y,-z+1 |
2_556 |
1 |
1 |
8436 |
3.3 |
0.1 |
0.719 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[SO4]A:2 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8436 |
2.8 |
-0.3 |
0.877 |
0 |
0 |
0 |
0.004 |
|