## |
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 |
175 |
52 |
11185 |
◊ |
L |
x,y,z |
1_555 |
190 |
51 |
11271 |
1550.4 |
-22.4 |
0.074 |
12 |
4 |
0 |
0.595 |
2 |
|
L |
36 |
12 |
11271 |
◊ |
H |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
44 |
16 |
11185 |
339.7 |
-1.2 |
0.653 |
5 |
0 |
0 |
0.077 |
3 |
|
L |
37 |
12 |
11271 |
◊ |
H |
y-1,x,-z |
7_455 |
33 |
12 |
11185 |
288.0 |
-2.7 |
0.424 |
1 |
1 |
0 |
0.000 |
4 |
|
[SIA]H:307 |
17 |
1 |
442 |
f |
H |
x,y,z |
1_555 |
32 |
11 |
11185 |
201.9 |
-1.0 |
0.447 |
5 |
0 |
0 |
0.074 |
5 |
|
H |
14 |
4 |
11185 |
◊ |
L |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
20 |
5 |
11271 |
143.8 |
-0.9 |
0.400 |
2 |
0 |
0 |
0.000 |
6 |
|
[GAL]H:308 |
9 |
1 |
291 |
f |
H |
x,y,z |
1_555 |
22 |
6 |
11185 |
105.6 |
2.7 |
0.474 |
0 |
0 |
0 |
0.000 |
7 |
|
[GLA]H:310 |
7 |
1 |
292 |
◊ |
L |
x,y,z |
1_555 |
15 |
6 |
11271 |
90.2 |
0.9 |
0.323 |
1 |
0 |
0 |
0.000 |
8 |
|
[NGA]H:309 |
12 |
1 |
362 |
f |
H |
x,y,z |
1_555 |
16 |
2 |
11185 |
89.8 |
2.3 |
0.211 |
0 |
0 |
0 |
0.000 |
9 |
|
[SO4]L:303 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
11 |
6 |
11271 |
87.8 |
-13.0 |
0.866 |
4 |
0 |
0 |
0.337 |
10 |
|
[EDO]H:302 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
14 |
7 |
11185 |
83.1 |
1.9 |
0.430 |
1 |
0 |
0 |
0.000 |
11 |
|
[NGA]H:309 |
6 |
1 |
362 |
◊ |
L |
x,y,z |
1_555 |
10 |
5 |
11271 |
77.8 |
1.0 |
0.288 |
2 |
0 |
0 |
0.000 |
12 |
|
[EDO]H:302 |
4 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
14 |
6 |
11271 |
75.3 |
1.1 |
0.693 |
1 |
0 |
0 |
0.000 |
13 |
|
[SO4]H:306 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
11185 |
74.7 |
-10.8 |
0.800 |
3 |
0 |
0 |
0.276 |
14 |
|
[EDO]L:301 |
4 |
1 |
181 |
f |
L |
x,y,z |
1_555 |
11 |
5 |
11271 |
73.7 |
2.0 |
0.324 |
2 |
0 |
0 |
0.000 |
15 |
|
[SO4]H:304 |
5 |
1 |
188 |
f |
H |
x,y,z |
1_555 |
6 |
4 |
11185 |
72.0 |
-9.0 |
0.967 |
5 |
0 |
0 |
0.256 |
16 |
|
[GAL]H:311 |
9 |
1 |
294 |
◊ |
L |
x,y,z |
1_555 |
12 |
4 |
11271 |
71.5 |
1.8 |
0.334 |
0 |
0 |
0 |
0.000 |
17 |
|
[EDO]L:302 |
4 |
1 |
183 |
f |
L |
x,y,z |
1_555 |
9 |
3 |
11271 |
71.1 |
1.2 |
0.688 |
3 |
0 |
0 |
0.003 |
18 |
|
[EDO]L:301 |
4 |
1 |
181 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
11185 |
70.2 |
1.7 |
0.190 |
1 |
0 |
0 |
0.000 |
19 |
|
L |
12 |
6 |
11271 |
f |
[SO4]H:305 |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
5 |
1 |
185 |
66.8 |
-8.4 |
0.808 |
3 |
0 |
0 |
0.223 |
20 |
|
[EDO]H:303 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
14 |
4 |
11185 |
66.8 |
2.0 |
0.272 |
1 |
0 |
0 |
0.000 |
21 |
|
[EDO]H:301 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
11185 |
65.9 |
1.7 |
0.739 |
1 |
0 |
0 |
0.000 |
22 |
|
[GAL]H:308 |
5 |
1 |
291 |
cf |
[SIA]H:307 |
x,y,z |
1_555 |
9 |
1 |
442 |
65.8 |
2.4 |
0.441 |
0 |
0 |
0 |
0.000 |
23 |
|
[GLA]H:310 |
7 |
1 |
292 |
cf |
[NGA]H:309 |
x,y,z |
1_555 |
9 |
1 |
362 |
64.7 |
2.0 |
0.092 |
0 |
0 |
0 |
0.000 |
24 |
|
[NGA]H:309 |
7 |
1 |
362 |
cf |
[GAL]H:308 |
x,y,z |
1_555 |
5 |
1 |
291 |
60.7 |
2.6 |
0.185 |
1 |
0 |
0 |
0.000 |
25 |
|
[GLA]H:310 |
7 |
1 |
292 |
cf |
[GAL]H:311 |
x,y,z |
1_555 |
6 |
1 |
294 |
59.9 |
1.7 |
0.149 |
0 |
0 |
0 |
0.000 |
26 |
|
[SO4]H:305 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
11185 |
58.5 |
-7.8 |
0.821 |
4 |
0 |
0 |
0.219 |
27 |
|
[BGC]H:312 |
6 |
1 |
306 |
cf |
[GAL]H:311 |
x,y,z |
1_555 |
7 |
1 |
294 |
57.2 |
1.1 |
0.089 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]H:301 |
4 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
9 |
3 |
11271 |
54.6 |
1.1 |
0.566 |
0 |
0 |
0 |
0.000 |
29 |
|
[GLA]H:310 |
8 |
1 |
292 |
f |
H |
x,y,z |
1_555 |
12 |
2 |
11185 |
51.3 |
1.0 |
0.310 |
1 |
0 |
0 |
0.000 |
30 |
|
L |
9 |
4 |
11271 |
◊ |
[BGC]H:312 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
3 |
1 |
306 |
49.7 |
1.1 |
0.517 |
1 |
0 |
0 |
0.000 |
31 |
|
[GAL]H:311 |
6 |
1 |
294 |
f |
H |
x,y,z |
1_555 |
6 |
2 |
11185 |
47.3 |
0.1 |
0.195 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]L:302 |
4 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
11185 |
39.1 |
0.5 |
0.449 |
0 |
0 |
0 |
0.000 |
33 |
|
[BGC]H:312 |
6 |
1 |
306 |
f |
[EDO]H:303 |
x,y,z |
1_555 |
2 |
1 |
184 |
33.4 |
1.3 |
0.334 |
0 |
0 |
0 |
0.000 |
34 |
|
[BGC]H:312 |
3 |
1 |
306 |
◊ |
L |
x,y,z |
1_555 |
3 |
3 |
11271 |
30.4 |
1.5 |
0.578 |
0 |
0 |
0 |
0.000 |
35 |
|
[SIA]H:307 |
4 |
1 |
442 |
f |
[EDO]H:303 |
x,y,z |
1_555 |
3 |
1 |
184 |
29.1 |
1.4 |
0.737 |
0 |
0 |
0 |
0.000 |
36 |
|
[GAL]H:311 |
3 |
1 |
294 |
f |
[EDO]H:303 |
x,y,z |
1_555 |
3 |
1 |
184 |
21.0 |
1.2 |
0.555 |
0 |
0 |
0 |
0.000 |
37 |
|
[SO4]L:303 |
4 |
1 |
186 |
◊ |
H |
y-1,x,-z |
7_455 |
2 |
1 |
11185 |
19.5 |
-2.1 |
0.870 |
0 |
0 |
0 |
0.000 |
38 |
|
L |
3 |
1 |
11271 |
◊ |
[GAL]H:311 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
1 |
1 |
294 |
14.6 |
0.2 |
0.342 |
0 |
0 |
0 |
0.000 |
39 |
|
[BGC]H:312 |
3 |
1 |
306 |
f |
H |
x,y,z |
1_555 |
4 |
2 |
11185 |
13.8 |
-0.3 |
0.185 |
0 |
0 |
0 |
0.007 |
40 |
|
[SO4]H:305 |
3 |
1 |
185 |
◊ |
[SO4]H:304 |
x,y,z |
1_555 |
3 |
1 |
188 |
12.4 |
-2.8 |
0.992 |
0 |
0 |
0 |
0.064 |
41 |
|
[GAL]H:308 |
4 |
1 |
291 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
11271 |
11.9 |
0.4 |
0.289 |
0 |
0 |
0 |
0.000 |
42 |
|
L |
1 |
1 |
11271 |
x |
L |
-y-1/2,x+1/2,z+1/4 |
3_455 |
1 |
1 |
11271 |
9.2 |
0.2 |
0.801 |
0 |
0 |
0 |
0.000 |
43 |
|
[NGA]H:309 |
1 |
1 |
362 |
f |
[GAL]H:311 |
x,y,z |
1_555 |
1 |
1 |
294 |
6.6 |
0.1 |
0.228 |
0 |
0 |
0 |
0.000 |
44 |
|
L |
1 |
1 |
11271 |
◊ |
[SIA]H:307 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
1 |
1 |
442 |
3.0 |
0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
45 |
|
[NGA]H:309 |
2 |
1 |
362 |
f |
[SIA]H:307 |
x,y,z |
1_555 |
2 |
1 |
442 |
1.7 |
0.1 |
0.270 |
0 |
0 |
0 |
0.000 |
46 |
|
[BGC]H:312 |
1 |
1 |
306 |
f |
[GLA]H:310 |
x,y,z |
1_555 |
1 |
1 |
292 |
1.4 |
-0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
47 |
|
H |
1 |
1 |
11185 |
x |
H |
-y+1/2,x+1/2,z+1/4 |
3_555 |
1 |
1 |
11185 |
0.4 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
48 |
|
[BGC]H:312 |
1 |
1 |
306 |
f |
[NGA]H:309 |
x,y,z |
1_555 |
1 |
1 |
362 |
0.3 |
0.0 |
0.154 |
0 |
0 |
0 |
0.000 |
|