## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
H |
200 |
59 |
11538 |
◊ |
L |
x,y,z |
1_555 |
207 |
59 |
11551 |
1784.3 |
-22.3 |
0.092 |
6 |
0 |
0 |
1.000 |
2 |
|
H |
63 |
21 |
11538 |
x |
H |
x-1/2,-y+1/2,-z |
4_455 |
56 |
19 |
11538 |
573.8 |
-6.2 |
0.334 |
0 |
0 |
0 |
0.000 |
3 |
|
H |
51 |
16 |
11538 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
63 |
21 |
11551 |
549.7 |
0.3 |
0.711 |
2 |
0 |
0 |
0.000 |
4 |
|
L |
34 |
10 |
11551 |
x |
L |
-x+1/2,-y,z-1/2 |
2_554 |
41 |
11 |
11551 |
335.4 |
0.1 |
0.670 |
2 |
0 |
0 |
0.000 |
5 |
|
L |
22 |
8 |
11551 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
22 |
6 |
11538 |
190.7 |
-2.3 |
0.339 |
0 |
0 |
0 |
0.000 |
6 |
|
[EDO]H:219 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
17 |
7 |
11538 |
104.9 |
2.6 |
0.432 |
0 |
0 |
0 |
0.000 |
7 |
|
[EDO]H:218 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
14 |
7 |
11538 |
92.4 |
3.2 |
0.659 |
0 |
0 |
0 |
0.000 |
8 |
|
[EDO]L:219 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
15 |
6 |
11551 |
92.4 |
2.5 |
0.445 |
2 |
0 |
0 |
0.000 |
9 |
|
[EDO]H:221 |
4 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
15 |
7 |
11551 |
91.7 |
3.2 |
0.486 |
1 |
0 |
0 |
0.000 |
10 |
|
[EDO]H:222 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
11538 |
88.4 |
2.2 |
0.292 |
1 |
0 |
0 |
0.000 |
11 |
|
[SO4]L:214 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
10 |
5 |
11551 |
87.4 |
-9.7 |
0.947 |
1 |
0 |
0 |
0.462 |
12 |
|
[EDO]H:223 |
4 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
15 |
7 |
11538 |
85.0 |
1.8 |
0.430 |
0 |
0 |
0 |
0.000 |
13 |
|
[EDO]L:220 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
12 |
6 |
11551 |
84.6 |
2.5 |
0.303 |
0 |
0 |
0 |
0.000 |
14 |
|
H |
13 |
6 |
11538 |
◊ |
[EDO]L:216 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
83.3 |
2.5 |
0.307 |
0 |
0 |
0 |
0.000 |
15 |
|
[EDO]L:217 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
12 |
4 |
11551 |
79.4 |
1.6 |
0.706 |
0 |
0 |
0 |
0.000 |
16 |
|
[EDO]H:220 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
18 |
8 |
11538 |
79.3 |
2.4 |
0.299 |
0 |
0 |
0 |
0.000 |
17 |
|
[EDO]L:215 |
4 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
11 |
5 |
11551 |
72.1 |
2.5 |
0.317 |
1 |
0 |
0 |
0.000 |
18 |
|
[ACT]H:224 |
4 |
1 |
182 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
11538 |
69.4 |
0.1 |
0.702 |
1 |
0 |
0 |
0.014 |
19 |
|
[EDO]L:216 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
10 |
5 |
11551 |
69.1 |
1.7 |
0.709 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]H:223 |
4 |
1 |
183 |
◊ |
L |
x,y,z |
1_555 |
16 |
6 |
11551 |
63.9 |
2.2 |
0.290 |
0 |
0 |
0 |
0.000 |
21 |
|
[EDO]L:218 |
4 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
10 |
5 |
11551 |
62.3 |
1.3 |
0.643 |
0 |
0 |
0 |
0.000 |
22 |
|
L |
5 |
3 |
11551 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
11538 |
58.4 |
0.4 |
0.758 |
0 |
1 |
0 |
0.000 |
23 |
|
[SO4]H:217 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
6 |
2 |
11538 |
52.6 |
-6.2 |
0.913 |
2 |
0 |
0 |
0.322 |
24 |
|
H |
9 |
6 |
11538 |
◊ |
[SO4]L:214 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
186 |
52.6 |
-5.2 |
0.933 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]H:221 |
3 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
8 |
3 |
11538 |
52.1 |
1.3 |
0.820 |
2 |
0 |
0 |
0.000 |
26 |
|
L |
6 |
3 |
11551 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
3 |
11538 |
48.2 |
-0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
27 |
|
[EDO]H:220 |
3 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
9 |
3 |
11551 |
46.8 |
1.2 |
0.272 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]L:215 |
2 |
1 |
184 |
f |
H |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
11538 |
43.9 |
1.0 |
0.569 |
0 |
0 |
0 |
0.000 |
29 |
|
H |
6 |
2 |
11538 |
◊ |
[SO4]H:217 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
186 |
43.4 |
-4.7 |
0.949 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]L:215 |
3 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
11538 |
43.0 |
1.4 |
0.815 |
0 |
0 |
0 |
0.000 |
31 |
|
H |
6 |
3 |
11538 |
f |
[EDO]H:218 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
184 |
39.8 |
0.4 |
0.730 |
0 |
0 |
0 |
0.000 |
32 |
|
H |
7 |
3 |
11538 |
◊ |
[EDO]L:219 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
185 |
35.2 |
0.4 |
0.685 |
0 |
0 |
0 |
0.000 |
33 |
|
L |
5 |
2 |
11551 |
f |
[EDO]H:220 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
184 |
34.9 |
0.9 |
0.838 |
1 |
0 |
0 |
0.000 |
34 |
|
L |
4 |
2 |
11551 |
x |
L |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
11551 |
29.5 |
0.5 |
0.659 |
0 |
0 |
0 |
0.000 |
35 |
|
L |
3 |
1 |
11551 |
◊ |
[ACT]H:224 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
182 |
25.0 |
-0.2 |
0.627 |
0 |
0 |
0 |
0.000 |
36 |
|
L |
3 |
2 |
11551 |
◊ |
[SO4]H:217 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
186 |
13.8 |
-1.7 |
0.806 |
0 |
0 |
0 |
0.000 |
37 |
|
[ACT]H:224 |
3 |
1 |
182 |
◊ |
L |
x,y,z |
1_555 |
2 |
2 |
11551 |
7.4 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
38 |
|
[EDO]L:219 |
1 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
11538 |
3.7 |
0.1 |
0.865 |
0 |
0 |
0 |
0.000 |
39 |
|
L |
2 |
1 |
11551 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
11538 |
2.5 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
40 |
|
H |
1 |
1 |
11538 |
f |
[EDO]L:217 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
185 |
0.7 |
0.0 |
0.820 |
0 |
0 |
0 |
0.000 |
|