## |
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 |
|
[ALB]A:1022 |
52 |
1 |
969 |
f |
A |
x,y,z |
1_555 |
89 |
21 |
27839 |
607.1 |
-6.4 |
0.607 |
7 |
0 |
0 |
0.000 |
2 |
|
A |
27 |
13 |
27839 |
x |
A |
x-y+1,x,z+1/6 |
6_655 |
24 |
9 |
27839 |
233.2 |
3.0 |
0.960 |
5 |
2 |
0 |
0.000 |
3 |
|
[FTT]A:1007 |
14 |
1 |
474 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
27839 |
187.0 |
1.7 |
0.106 |
0 |
0 |
0 |
0.000 |
4 |
|
[FTT]A:1002 |
15 |
1 |
501 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
27839 |
166.7 |
2.5 |
0.209 |
0 |
0 |
0 |
0.000 |
5 |
|
[FTT]A:1004 |
16 |
1 |
494 |
f |
A |
x,y,z |
1_555 |
33 |
10 |
27839 |
157.5 |
0.4 |
0.118 |
1 |
0 |
0 |
0.000 |
6 |
|
A |
18 |
8 |
27839 |
x |
A |
-y+1,x-y,z+1/3 |
2_655 |
18 |
7 |
27839 |
154.5 |
-0.3 |
0.668 |
2 |
0 |
0 |
0.000 |
7 |
|
[FTT]A:1005 |
13 |
1 |
441 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
27839 |
128.4 |
1.4 |
0.057 |
1 |
0 |
0 |
0.000 |
8 |
|
[FTT]A:1007 |
10 |
1 |
474 |
cf |
[FTT]A:1006 |
x,y,z |
1_555 |
13 |
1 |
502 |
121.9 |
4.6 |
0.127 |
0 |
0 |
0 |
0.000 |
9 |
|
[FTT]A:1006 |
12 |
1 |
502 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
27839 |
121.1 |
0.8 |
0.158 |
1 |
0 |
0 |
0.000 |
10 |
|
[FTT]A:1005 |
8 |
1 |
441 |
f |
[FTT]A:1002 |
x,y,z |
1_555 |
10 |
1 |
501 |
111.5 |
3.9 |
0.090 |
0 |
0 |
0 |
0.000 |
11 |
|
[FTT]A:1006 |
12 |
1 |
502 |
f |
[FTT]A:1004 |
x,y,z |
1_555 |
9 |
1 |
494 |
104.2 |
4.3 |
0.186 |
0 |
0 |
0 |
0.000 |
12 |
|
[FTT]A:1005 |
10 |
1 |
441 |
cf |
[FTT]A:1004 |
x,y,z |
1_555 |
12 |
1 |
494 |
97.3 |
3.7 |
0.053 |
0 |
0 |
0 |
0.000 |
13 |
|
[KDO]A:1008 |
12 |
1 |
357 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
27839 |
96.3 |
2.9 |
0.882 |
5 |
0 |
0 |
0.000 |
14 |
|
[DPO]A:1013 |
7 |
1 |
244 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
27839 |
89.9 |
1.9 |
0.732 |
2 |
0 |
0 |
0.000 |
15 |
|
[GMH]A:1010 |
7 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
27839 |
77.3 |
2.2 |
0.426 |
4 |
0 |
0 |
0.000 |
16 |
|
[PO4]A:1016 |
4 |
1 |
175 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
15 |
3 |
27839 |
69.9 |
-3.6 |
0.726 |
1 |
0 |
0 |
0.000 |
17 |
|
[DPO]A:1015 |
6 |
1 |
244 |
cf |
[GMH]A:1010 |
x,y,z |
1_555 |
9 |
1 |
329 |
67.9 |
0.4 |
0.090 |
0 |
0 |
0 |
0.000 |
18 |
|
[GLC]A:1020 |
9 |
1 |
299 |
cf |
[GLC]A:1018 |
x,y,z |
1_555 |
6 |
1 |
291 |
67.5 |
3.1 |
0.201 |
0 |
0 |
0 |
0.000 |
19 |
|
[KDO]A:1009 |
10 |
1 |
354 |
cf |
[KDO]A:1008 |
x,y,z |
1_555 |
8 |
1 |
357 |
66.7 |
0.8 |
0.602 |
0 |
0 |
0 |
0.000 |
20 |
|
[GCN]A:1001 |
9 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
27839 |
65.1 |
1.2 |
0.303 |
0 |
0 |
0 |
0.000 |
21 |
|
[GMH]A:1012 |
8 |
1 |
322 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
27839 |
63.4 |
1.7 |
0.289 |
2 |
0 |
0 |
0.000 |
22 |
|
[DPO]A:1015 |
7 |
1 |
244 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
4 |
3 |
27839 |
61.5 |
0.5 |
0.577 |
1 |
0 |
0 |
0.000 |
23 |
|
[GLA]A:1019 |
8 |
1 |
289 |
cf |
[GLC]A:1017 |
x,y,z |
1_555 |
6 |
1 |
292 |
58.6 |
2.3 |
0.168 |
0 |
0 |
0 |
0.000 |
24 |
|
[GLA]A:1019 |
5 |
1 |
289 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
5 |
3 |
27839 |
58.5 |
1.0 |
0.343 |
1 |
0 |
0 |
0.000 |
25 |
|
[GLC]A:1018 |
8 |
1 |
291 |
cf |
[GLC]A:1017 |
x,y,z |
1_555 |
6 |
1 |
292 |
56.1 |
2.2 |
0.160 |
0 |
0 |
0 |
0.000 |
26 |
|
[GMH]A:1012 |
6 |
1 |
322 |
cf |
[GMH]A:1011 |
x,y,z |
1_555 |
5 |
1 |
324 |
55.6 |
2.7 |
0.289 |
0 |
0 |
0 |
0.000 |
27 |
|
[GMH]A:1011 |
7 |
1 |
324 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
13 |
3 |
27839 |
55.6 |
0.0 |
0.162 |
0 |
0 |
0 |
0.000 |
28 |
|
[PA1]A:1000 |
9 |
1 |
298 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
27839 |
54.7 |
1.4 |
0.353 |
0 |
0 |
0 |
0.000 |
29 |
|
[GMH]A:1010 |
7 |
1 |
329 |
cf |
[KDO]A:1008 |
x,y,z |
1_555 |
8 |
1 |
357 |
53.6 |
0.6 |
0.324 |
0 |
0 |
0 |
0.000 |
30 |
|
[GMH]A:1011 |
7 |
1 |
324 |
cf |
[GMH]A:1010 |
x,y,z |
1_555 |
5 |
1 |
329 |
53.2 |
2.1 |
0.194 |
0 |
0 |
0 |
0.000 |
31 |
|
[DPO]A:1013 |
7 |
1 |
244 |
cf |
[PA1]A:1000 |
x,y,z |
1_555 |
7 |
1 |
298 |
52.8 |
1.8 |
0.325 |
0 |
0 |
0 |
0.000 |
32 |
|
[GLC]A:1017 |
5 |
1 |
292 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
6 |
3 |
27839 |
51.3 |
0.4 |
0.301 |
0 |
0 |
0 |
0.000 |
33 |
|
[GMH]A:1010 |
7 |
1 |
329 |
f |
[KDO]A:1009 |
x,y,z |
1_555 |
6 |
1 |
354 |
50.9 |
0.9 |
0.256 |
0 |
0 |
0 |
0.000 |
34 |
|
[FTT]A:1003 |
5 |
1 |
241 |
cf |
[PA1]A:1000 |
x,y,z |
1_555 |
5 |
1 |
298 |
49.9 |
1.6 |
0.385 |
0 |
0 |
0 |
0.000 |
35 |
|
[GLC]A:1017 |
6 |
1 |
292 |
cf |
[GMH]A:1011 |
x,y,z |
1_555 |
8 |
1 |
324 |
49.8 |
2.1 |
0.153 |
0 |
0 |
0 |
0.000 |
36 |
|
[FTT]A:1006 |
4 |
1 |
502 |
cf |
[GCN]A:1001 |
x,y,z |
1_555 |
5 |
1 |
294 |
48.7 |
1.4 |
0.225 |
0 |
0 |
0 |
0.000 |
37 |
|
[PO4]A:1014 |
3 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
27839 |
46.9 |
-1.7 |
0.883 |
1 |
0 |
0 |
0.000 |
38 |
|
[FTT]A:1002 |
3 |
1 |
501 |
cf |
[PA1]A:1000 |
x,y,z |
1_555 |
4 |
1 |
298 |
46.3 |
2.3 |
0.430 |
0 |
0 |
0 |
0.000 |
39 |
|
[PO4]A:1016 |
4 |
1 |
175 |
cf |
[GMH]A:1011 |
x,y,z |
1_555 |
6 |
1 |
324 |
44.8 |
-0.5 |
0.181 |
1 |
0 |
0 |
0.000 |
40 |
|
[DPO]A:1013 |
5 |
1 |
244 |
f |
[FTT]A:1002 |
x,y,z |
1_555 |
4 |
1 |
501 |
44.1 |
2.0 |
0.443 |
0 |
0 |
0 |
0.000 |
41 |
|
[KDO]A:1008 |
9 |
1 |
357 |
cf |
[GCN]A:1001 |
x,y,z |
1_555 |
5 |
1 |
294 |
43.1 |
1.5 |
0.445 |
0 |
0 |
0 |
0.000 |
42 |
|
[PO4]A:1014 |
4 |
1 |
173 |
cf |
[GCN]A:1001 |
x,y,z |
1_555 |
4 |
1 |
294 |
42.6 |
-0.7 |
0.311 |
0 |
0 |
0 |
0.000 |
43 |
|
[NI]A:1021 |
1 |
1 |
115 |
f |
A |
-y+1,x-y,z+1/3 |
2_655 |
12 |
4 |
27839 |
40.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[GCN]A:1001 |
5 |
1 |
294 |
cf |
[PA1]A:1000 |
x,y,z |
1_555 |
7 |
1 |
298 |
39.9 |
1.6 |
0.212 |
0 |
0 |
0 |
0.000 |
45 |
|
[GLA]A:1019 |
4 |
1 |
289 |
f |
[GLC]A:1020 |
x,y,z |
1_555 |
4 |
1 |
299 |
39.3 |
1.1 |
0.191 |
1 |
0 |
0 |
0.000 |
46 |
|
[FTT]A:1003 |
4 |
1 |
241 |
f |
[FTT]A:1004 |
x,y,z |
1_555 |
4 |
1 |
494 |
39.1 |
2.1 |
0.579 |
0 |
0 |
0 |
0.000 |
47 |
|
[GLC]A:1020 |
6 |
1 |
299 |
f |
[KDO]A:1009 |
x,y,z |
1_555 |
5 |
1 |
354 |
38.2 |
0.9 |
0.196 |
2 |
0 |
0 |
0.000 |
48 |
|
[GLC]A:1018 |
5 |
1 |
291 |
f |
[KDO]A:1009 |
x,y,z |
1_555 |
3 |
1 |
354 |
37.4 |
1.3 |
0.287 |
1 |
0 |
0 |
0.000 |
49 |
|
[FTT]A:1003 |
4 |
1 |
241 |
f |
[FTT]A:1002 |
x,y,z |
1_555 |
3 |
1 |
501 |
36.9 |
1.2 |
0.538 |
0 |
0 |
0 |
0.000 |
50 |
|
[FTT]A:1004 |
4 |
1 |
494 |
cf |
[GCN]A:1001 |
x,y,z |
1_555 |
3 |
1 |
294 |
36.5 |
1.8 |
0.378 |
0 |
0 |
0 |
0.000 |
51 |
|
[GLC]A:1020 |
6 |
1 |
299 |
f |
[GLC]A:1017 |
x,y,z |
1_555 |
4 |
1 |
292 |
34.1 |
0.6 |
0.104 |
1 |
0 |
0 |
0.000 |
52 |
|
[DPO]A:1015 |
4 |
1 |
244 |
f |
[KDO]A:1009 |
x,y,z |
1_555 |
3 |
1 |
354 |
33.5 |
0.5 |
0.501 |
0 |
0 |
0 |
0.000 |
53 |
|
[FTT]A:1003 |
6 |
1 |
241 |
f |
[FTT]A:1005 |
x,y,z |
1_555 |
4 |
1 |
441 |
33.3 |
1.8 |
0.346 |
0 |
0 |
0 |
0.000 |
54 |
|
[PO4]A:1014 |
3 |
1 |
173 |
f |
[FTT]A:1006 |
x,y,z |
1_555 |
4 |
1 |
502 |
32.4 |
0.3 |
0.445 |
0 |
0 |
0 |
0.000 |
55 |
|
[DPO]A:1015 |
2 |
1 |
244 |
f |
[GMH]A:1011 |
x,y,z |
1_555 |
3 |
1 |
324 |
32.4 |
1.2 |
0.405 |
0 |
0 |
0 |
0.000 |
56 |
|
[GLC]A:1018 |
2 |
1 |
291 |
f |
[KDO]A:1008 |
x,y,z |
1_555 |
4 |
1 |
357 |
31.7 |
0.3 |
0.488 |
0 |
0 |
0 |
0.000 |
57 |
|
[FTT]A:1004 |
3 |
1 |
494 |
f |
[PA1]A:1000 |
x,y,z |
1_555 |
7 |
1 |
298 |
31.6 |
1.6 |
0.253 |
0 |
0 |
0 |
0.000 |
58 |
|
[KDO]A:1009 |
3 |
1 |
354 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
27839 |
26.8 |
-0.8 |
0.472 |
1 |
0 |
0 |
0.000 |
59 |
|
[PO4]A:1014 |
3 |
1 |
173 |
f |
[KDO]A:1008 |
x,y,z |
1_555 |
6 |
1 |
357 |
25.6 |
-1.4 |
0.689 |
0 |
0 |
0 |
0.000 |
60 |
|
[GMH]A:1012 |
2 |
1 |
322 |
f |
[GMH]A:1010 |
x,y,z |
1_555 |
4 |
1 |
329 |
22.2 |
1.0 |
0.227 |
0 |
0 |
0 |
0.000 |
61 |
|
[NI]A:1021 |
1 |
1 |
115 |
◊ |
[PO4]A:1016 |
x,y,z |
1_555 |
3 |
1 |
175 |
21.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
|
[NI]A:1021 |
1 |
1 |
115 |
◊ |
[GLC]A:1017 |
x,y,z |
1_555 |
5 |
1 |
292 |
20.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
[KDO]A:1009 |
4 |
1 |
354 |
f |
[PA1]A:1000 |
x,y,z |
1_555 |
2 |
1 |
298 |
20.3 |
-0.1 |
0.451 |
0 |
0 |
0 |
0.000 |
64 |
|
[KDO]A:1009 |
7 |
1 |
354 |
f |
[GCN]A:1001 |
x,y,z |
1_555 |
3 |
1 |
294 |
18.4 |
0.7 |
0.382 |
0 |
0 |
0 |
0.000 |
65 |
|
[GLC]A:1017 |
3 |
1 |
292 |
f |
[PO4]A:1016 |
x,y,z |
1_555 |
3 |
1 |
175 |
17.9 |
-0.2 |
0.467 |
0 |
0 |
0 |
0.000 |
66 |
|
[FTT]A:1005 |
3 |
1 |
441 |
f |
[PA1]A:1000 |
x,y,z |
1_555 |
4 |
1 |
298 |
17.4 |
0.9 |
0.146 |
0 |
0 |
0 |
0.000 |
67 |
|
[NI]A:1021 |
1 |
1 |
115 |
◊ |
[GLA]A:1019 |
x,y,z |
1_555 |
2 |
1 |
289 |
17.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
|
[GLA]A:1019 |
4 |
1 |
289 |
f |
[GLC]A:1018 |
x,y,z |
1_555 |
2 |
1 |
291 |
16.1 |
0.7 |
0.164 |
0 |
0 |
0 |
0.000 |
69 |
|
[NI]A:1021 |
1 |
1 |
115 |
◊ |
[GMH]A:1011 |
x,y,z |
1_555 |
4 |
1 |
324 |
15.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
|
[GMH]A:1011 |
4 |
1 |
324 |
f |
[KDO]A:1008 |
x,y,z |
1_555 |
2 |
1 |
357 |
15.1 |
-0.4 |
0.239 |
0 |
0 |
0 |
0.000 |
71 |
|
[FTT]A:1004 |
3 |
1 |
494 |
f |
[FTT]A:1002 |
x,y,z |
1_555 |
2 |
1 |
501 |
14.5 |
0.6 |
0.233 |
0 |
0 |
0 |
0.000 |
72 |
|
[FTT]A:1003 |
3 |
1 |
241 |
f |
[GCN]A:1001 |
x,y,z |
1_555 |
3 |
1 |
294 |
13.2 |
0.5 |
0.457 |
0 |
0 |
0 |
0.000 |
73 |
|
[FTT]A:1003 |
1 |
1 |
241 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
27839 |
11.5 |
0.2 |
0.890 |
0 |
0 |
0 |
0.000 |
74 |
|
[GLC]A:1018 |
4 |
1 |
291 |
f |
[GMH]A:1011 |
x,y,z |
1_555 |
3 |
1 |
324 |
10.5 |
0.4 |
0.132 |
0 |
0 |
0 |
0.000 |
75 |
|
[KDO]A:1008 |
4 |
1 |
357 |
f |
[PA1]A:1000 |
x,y,z |
1_555 |
2 |
1 |
298 |
10.5 |
0.7 |
0.430 |
0 |
0 |
0 |
0.000 |
76 |
|
[GMH]A:1012 |
3 |
1 |
322 |
f |
[KDO]A:1008 |
x,y,z |
1_555 |
3 |
1 |
357 |
9.8 |
0.5 |
0.370 |
0 |
0 |
0 |
0.000 |
77 |
|
[DPO]A:1013 |
1 |
1 |
244 |
f |
[KDO]A:1009 |
x,y,z |
1_555 |
1 |
1 |
354 |
9.8 |
-0.4 |
0.258 |
0 |
0 |
0 |
0.000 |
78 |
|
[GMH]A:1012 |
2 |
1 |
322 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
5 |
1 |
27839 |
9.4 |
0.2 |
0.391 |
0 |
0 |
0 |
0.000 |
79 |
|
[FTT]A:1006 |
1 |
1 |
502 |
f |
[PA1]A:1000 |
x,y,z |
1_555 |
3 |
1 |
298 |
9.4 |
0.2 |
0.173 |
0 |
0 |
0 |
0.000 |
80 |
|
[PO4]A:1014 |
2 |
1 |
173 |
f |
[FTT]A:1007 |
x,y,z |
1_555 |
2 |
1 |
474 |
8.6 |
-0.1 |
0.465 |
0 |
0 |
0 |
0.000 |
81 |
|
[GLC]A:1017 |
3 |
1 |
292 |
f |
[KDO]A:1009 |
x,y,z |
1_555 |
1 |
1 |
354 |
8.3 |
0.2 |
0.243 |
0 |
0 |
0 |
0.000 |
82 |
|
[DPO]A:1015 |
1 |
1 |
244 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
27839 |
8.0 |
0.2 |
0.439 |
0 |
0 |
0 |
0.000 |
83 |
|
[GMH]A:1010 |
2 |
1 |
329 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
27839 |
7.3 |
0.2 |
0.351 |
0 |
0 |
0 |
0.000 |
84 |
|
[DPO]A:1015 |
2 |
1 |
244 |
f |
[KDO]A:1008 |
x,y,z |
1_555 |
2 |
1 |
357 |
7.3 |
-0.1 |
0.354 |
0 |
0 |
0 |
0.000 |
85 |
|
[PO4]A:1016 |
2 |
1 |
175 |
f |
[GMH]A:1012 |
x,y,z |
1_555 |
1 |
1 |
322 |
6.2 |
-0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
86 |
|
[FTT]A:1005 |
2 |
1 |
441 |
f |
[GCN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
294 |
6.1 |
0.2 |
0.175 |
0 |
0 |
0 |
0.000 |
87 |
|
[GLC]A:1017 |
1 |
1 |
292 |
f |
[GMH]A:1010 |
x,y,z |
1_555 |
1 |
1 |
329 |
2.9 |
0.1 |
0.167 |
0 |
0 |
0 |
0.000 |
88 |
|
[FTT]A:1007 |
1 |
1 |
474 |
f |
[GCN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
294 |
2.3 |
0.0 |
0.231 |
0 |
0 |
0 |
0.000 |
89 |
|
[GLC]A:1017 |
1 |
1 |
292 |
f |
[DPO]A:1015 |
x,y,z |
1_555 |
1 |
1 |
244 |
2.2 |
0.1 |
0.213 |
0 |
0 |
0 |
0.000 |
90 |
|
[DPO]A:1013 |
2 |
1 |
244 |
f |
[FTT]A:1003 |
x,y,z |
1_555 |
1 |
1 |
241 |
2.2 |
0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
91 |
|
[GMH]A:1010 |
1 |
1 |
329 |
f |
[GCN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
294 |
2.0 |
0.1 |
0.175 |
0 |
0 |
0 |
0.000 |
92 |
|
[FTT]A:1007 |
1 |
1 |
474 |
f |
[FTT]A:1004 |
x,y,z |
1_555 |
1 |
1 |
494 |
1.9 |
0.1 |
0.258 |
0 |
0 |
0 |
0.000 |
93 |
|
[GLC]A:1018 |
1 |
1 |
291 |
f |
[GCN]A:1001 |
x,y,z |
1_555 |
2 |
1 |
294 |
1.7 |
0.1 |
0.200 |
0 |
0 |
0 |
0.000 |
94 |
|
[PO4]A:1016 |
1 |
1 |
175 |
f |
[GMH]A:1010 |
x,y,z |
1_555 |
1 |
1 |
329 |
1.0 |
0.0 |
0.340 |
0 |
0 |
0 |
0.000 |
|