## |
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 |
|
[PFC]A:1022 |
39 |
1 |
875 |
f |
A |
x,y,z |
1_555 |
66 |
15 |
27889 |
450.1 |
-7.0 |
0.596 |
5 |
0 |
0 |
0.000 |
2 |
|
A |
26 |
14 |
27889 |
x |
A |
x-y+1,x,z+1/6 |
6_655 |
22 |
9 |
27889 |
233.3 |
3.0 |
0.952 |
5 |
3 |
0 |
0.000 |
3 |
|
[FTT]A:1007 |
14 |
1 |
485 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
27889 |
189.0 |
1.5 |
0.106 |
0 |
0 |
0 |
0.000 |
4 |
|
[FTT]A:1002 |
16 |
1 |
494 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
27889 |
164.0 |
1.5 |
0.131 |
0 |
0 |
0 |
0.000 |
5 |
|
[FTT]A:1004 |
16 |
1 |
497 |
f |
A |
x,y,z |
1_555 |
31 |
10 |
27889 |
158.2 |
0.3 |
0.074 |
1 |
0 |
0 |
0.000 |
6 |
|
A |
14 |
8 |
27889 |
x |
A |
-y+1,x-y,z+1/3 |
2_655 |
18 |
6 |
27889 |
142.1 |
-0.1 |
0.692 |
2 |
0 |
0 |
0.000 |
7 |
|
[FTT]A:1005 |
13 |
1 |
440 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
27889 |
127.0 |
1.6 |
0.073 |
1 |
0 |
0 |
0.000 |
8 |
|
[FTT]A:1007 |
11 |
1 |
485 |
cf |
[FTT]A:1006 |
x,y,z |
1_555 |
11 |
1 |
498 |
123.5 |
5.1 |
0.150 |
0 |
0 |
0 |
0.000 |
9 |
|
[FTT]A:1006 |
13 |
1 |
498 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
27889 |
119.2 |
1.5 |
0.171 |
1 |
0 |
0 |
0.000 |
10 |
|
[FTT]A:1005 |
12 |
1 |
440 |
f |
[FTT]A:1002 |
x,y,z |
1_555 |
10 |
1 |
494 |
109.9 |
4.2 |
0.052 |
0 |
0 |
0 |
0.000 |
11 |
|
[KDO]A:1008 |
11 |
1 |
354 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
27889 |
98.2 |
2.4 |
0.865 |
2 |
0 |
0 |
0.000 |
12 |
|
[FTT]A:1006 |
13 |
1 |
498 |
f |
[FTT]A:1004 |
x,y,z |
1_555 |
12 |
1 |
497 |
98.0 |
3.7 |
0.093 |
0 |
0 |
0 |
0.000 |
13 |
|
[FTT]A:1005 |
9 |
1 |
440 |
cf |
[FTT]A:1004 |
x,y,z |
1_555 |
13 |
1 |
497 |
96.2 |
3.7 |
0.059 |
0 |
0 |
0 |
0.000 |
14 |
|
[DPO]A:1013 |
6 |
1 |
243 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
27889 |
90.0 |
0.7 |
0.514 |
4 |
0 |
0 |
0.000 |
15 |
|
[GMH]A:1010 |
7 |
1 |
326 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
27889 |
80.4 |
2.2 |
0.449 |
2 |
0 |
0 |
0.000 |
16 |
|
[GMH]A:1012 |
10 |
1 |
325 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
27889 |
73.9 |
2.5 |
0.233 |
1 |
0 |
0 |
0.000 |
17 |
|
[DPO]A:1015 |
7 |
1 |
243 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
5 |
4 |
27889 |
67.7 |
-0.7 |
0.387 |
1 |
0 |
0 |
0.000 |
18 |
|
[DPO]A:1015 |
5 |
1 |
243 |
cf |
[GMH]A:1010 |
x,y,z |
1_555 |
9 |
1 |
326 |
66.7 |
1.0 |
0.131 |
0 |
0 |
0 |
0.000 |
19 |
|
[GCN]A:1001 |
9 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
27889 |
66.0 |
1.6 |
0.399 |
0 |
0 |
0 |
0.000 |
20 |
|
[KDO]A:1009 |
10 |
1 |
359 |
cf |
[KDO]A:1008 |
x,y,z |
1_555 |
7 |
1 |
354 |
64.4 |
0.5 |
0.578 |
0 |
0 |
0 |
0.000 |
21 |
|
[GLC]A:1018 |
6 |
1 |
294 |
cf |
[GLC]A:1017 |
x,y,z |
1_555 |
6 |
1 |
289 |
62.7 |
2.0 |
0.209 |
0 |
0 |
0 |
0.000 |
22 |
|
[PO4]A:1016 |
4 |
1 |
174 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
12 |
3 |
27889 |
60.9 |
-3.1 |
0.710 |
1 |
0 |
0 |
0.000 |
23 |
|
[GLA]A:1019 |
5 |
1 |
288 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
6 |
3 |
27889 |
59.8 |
0.7 |
0.284 |
0 |
0 |
0 |
0.000 |
24 |
|
[GLC]A:1020 |
6 |
1 |
294 |
cf |
[GLC]A:1018 |
x,y,z |
1_555 |
5 |
1 |
294 |
59.3 |
1.9 |
0.209 |
0 |
0 |
0 |
0.000 |
25 |
|
[GMH]A:1012 |
5 |
1 |
325 |
cf |
[GMH]A:1011 |
x,y,z |
1_555 |
6 |
1 |
326 |
57.8 |
2.8 |
0.286 |
0 |
0 |
0 |
0.000 |
26 |
|
[GMH]A:1010 |
7 |
1 |
326 |
cf |
[KDO]A:1008 |
x,y,z |
1_555 |
10 |
1 |
354 |
56.4 |
0.9 |
0.380 |
0 |
0 |
0 |
0.000 |
27 |
|
[DPO]A:1013 |
6 |
1 |
243 |
cf |
[GCN]A:1000 |
x,y,z |
1_555 |
5 |
1 |
295 |
54.0 |
1.1 |
0.390 |
1 |
0 |
0 |
0.000 |
28 |
|
[GLA]A:1019 |
7 |
1 |
288 |
cf |
[GLC]A:1017 |
x,y,z |
1_555 |
7 |
1 |
289 |
53.6 |
2.2 |
0.151 |
0 |
0 |
0 |
0.000 |
29 |
|
[GMH]A:1011 |
6 |
1 |
326 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
9 |
3 |
27889 |
53.4 |
-0.1 |
0.157 |
0 |
0 |
0 |
0.000 |
30 |
|
[FTT]A:1003 |
4 |
1 |
267 |
cf |
[GCN]A:1000 |
x,y,z |
1_555 |
5 |
1 |
295 |
52.4 |
1.8 |
0.484 |
0 |
0 |
0 |
0.000 |
31 |
|
[GLC]A:1017 |
6 |
1 |
289 |
cf |
[GMH]A:1011 |
x,y,z |
1_555 |
8 |
1 |
326 |
52.0 |
2.1 |
0.158 |
0 |
0 |
0 |
0.000 |
32 |
|
[GMH]A:1011 |
8 |
1 |
326 |
cf |
[GMH]A:1010 |
x,y,z |
1_555 |
5 |
1 |
326 |
51.8 |
2.1 |
0.182 |
0 |
0 |
0 |
0.000 |
33 |
|
[FTT]A:1006 |
4 |
1 |
498 |
cf |
[GCN]A:1001 |
x,y,z |
1_555 |
7 |
1 |
295 |
50.6 |
1.6 |
0.212 |
0 |
0 |
0 |
0.000 |
34 |
|
[GCN]A:1000 |
10 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
27889 |
49.7 |
1.3 |
0.360 |
3 |
0 |
0 |
0.000 |
35 |
|
[GMH]A:1010 |
6 |
1 |
326 |
f |
[KDO]A:1009 |
x,y,z |
1_555 |
6 |
1 |
359 |
46.9 |
1.1 |
0.327 |
0 |
0 |
0 |
0.000 |
36 |
|
[PO4]A:1016 |
4 |
1 |
174 |
cf |
[GMH]A:1011 |
x,y,z |
1_555 |
6 |
1 |
326 |
45.8 |
-0.7 |
0.190 |
0 |
0 |
0 |
0.000 |
37 |
|
[FTT]A:1002 |
3 |
1 |
494 |
cf |
[GCN]A:1000 |
x,y,z |
1_555 |
5 |
1 |
295 |
45.0 |
2.2 |
0.395 |
0 |
0 |
0 |
0.000 |
38 |
|
[PO4]A:1014 |
4 |
1 |
175 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
27889 |
45.0 |
-1.7 |
0.820 |
1 |
0 |
0 |
0.000 |
39 |
|
[FTT]A:1003 |
6 |
1 |
267 |
f |
[FTT]A:1004 |
x,y,z |
1_555 |
6 |
1 |
497 |
44.3 |
2.2 |
0.466 |
0 |
0 |
0 |
0.000 |
40 |
|
[PO4]A:1014 |
4 |
1 |
175 |
cf |
[GCN]A:1001 |
x,y,z |
1_555 |
4 |
1 |
295 |
43.3 |
-0.8 |
0.353 |
0 |
0 |
0 |
0.000 |
41 |
|
[GLC]A:1017 |
6 |
1 |
289 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
5 |
3 |
27889 |
43.0 |
-0.1 |
0.151 |
0 |
0 |
0 |
0.000 |
42 |
|
[NI]A:1021 |
1 |
1 |
115 |
f |
A |
-y+1,x-y,z+1/3 |
2_655 |
12 |
4 |
27889 |
42.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[FTT]A:1003 |
5 |
1 |
267 |
f |
[FTT]A:1005 |
x,y,z |
1_555 |
5 |
1 |
440 |
40.8 |
2.5 |
0.374 |
0 |
0 |
0 |
0.000 |
44 |
|
[FTT]A:1004 |
4 |
1 |
497 |
cf |
[GCN]A:1001 |
x,y,z |
1_555 |
4 |
1 |
295 |
40.1 |
1.8 |
0.332 |
0 |
0 |
0 |
0.000 |
45 |
|
[KDO]A:1008 |
8 |
1 |
354 |
cf |
[GCN]A:1001 |
x,y,z |
1_555 |
4 |
1 |
295 |
39.5 |
1.6 |
0.556 |
0 |
0 |
0 |
0.000 |
46 |
|
[DPO]A:1013 |
5 |
1 |
243 |
f |
[FTT]A:1002 |
x,y,z |
1_555 |
3 |
1 |
494 |
39.4 |
0.9 |
0.386 |
0 |
0 |
0 |
0.000 |
47 |
|
[GCN]A:1001 |
5 |
1 |
295 |
cf |
[GCN]A:1000 |
x,y,z |
1_555 |
6 |
1 |
295 |
36.4 |
1.3 |
0.239 |
0 |
0 |
0 |
0.000 |
48 |
|
[FTT]A:1004 |
4 |
1 |
497 |
f |
[GCN]A:1000 |
x,y,z |
1_555 |
7 |
1 |
295 |
35.7 |
2.0 |
0.304 |
0 |
0 |
0 |
0.000 |
49 |
|
[PO4]A:1014 |
3 |
1 |
175 |
f |
[FTT]A:1006 |
x,y,z |
1_555 |
5 |
1 |
498 |
35.7 |
-0.1 |
0.380 |
1 |
0 |
0 |
0.000 |
50 |
|
[FTT]A:1003 |
3 |
1 |
267 |
f |
[FTT]A:1002 |
x,y,z |
1_555 |
3 |
1 |
494 |
34.6 |
1.6 |
0.576 |
0 |
0 |
0 |
0.000 |
51 |
|
[GLC]A:1018 |
7 |
1 |
294 |
f |
[KDO]A:1009 |
x,y,z |
1_555 |
2 |
1 |
359 |
34.5 |
1.2 |
0.221 |
0 |
0 |
0 |
0.000 |
52 |
|
[DPO]A:1015 |
5 |
1 |
243 |
f |
[KDO]A:1009 |
x,y,z |
1_555 |
3 |
1 |
359 |
32.7 |
0.6 |
0.527 |
0 |
0 |
0 |
0.000 |
53 |
|
[DPO]A:1015 |
2 |
1 |
243 |
f |
[GMH]A:1011 |
x,y,z |
1_555 |
3 |
1 |
326 |
32.2 |
1.2 |
0.390 |
0 |
0 |
0 |
0.000 |
54 |
|
[GLC]A:1020 |
3 |
1 |
294 |
f |
[KDO]A:1009 |
x,y,z |
1_555 |
3 |
1 |
359 |
26.8 |
1.1 |
0.438 |
0 |
0 |
0 |
0.000 |
55 |
|
[KDO]A:1009 |
3 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
27889 |
25.5 |
-1.0 |
0.439 |
1 |
0 |
0 |
0.000 |
56 |
|
[NI]A:1021 |
1 |
1 |
115 |
◊ |
[PO4]A:1016 |
x,y,z |
1_555 |
3 |
1 |
174 |
24.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[GLC]A:1020 |
2 |
1 |
294 |
f |
[GLC]A:1017 |
x,y,z |
1_555 |
3 |
1 |
289 |
24.6 |
0.6 |
0.194 |
0 |
0 |
0 |
0.000 |
58 |
|
[PO4]A:1014 |
3 |
1 |
175 |
f |
[KDO]A:1008 |
x,y,z |
1_555 |
5 |
1 |
354 |
24.3 |
-1.0 |
0.703 |
0 |
0 |
0 |
0.000 |
59 |
|
[GLC]A:1018 |
3 |
1 |
294 |
f |
[KDO]A:1008 |
x,y,z |
1_555 |
3 |
1 |
354 |
24.0 |
-0.5 |
0.272 |
1 |
0 |
0 |
0.000 |
60 |
|
[KDO]A:1009 |
3 |
1 |
359 |
f |
[GCN]A:1000 |
x,y,z |
1_555 |
3 |
1 |
295 |
22.6 |
-0.5 |
0.353 |
0 |
0 |
0 |
0.000 |
61 |
|
[GMH]A:1012 |
3 |
1 |
325 |
f |
[GMH]A:1010 |
x,y,z |
1_555 |
3 |
1 |
326 |
20.7 |
1.1 |
0.270 |
0 |
0 |
0 |
0.000 |
62 |
|
[NI]A:1021 |
1 |
1 |
115 |
◊ |
[GMH]A:1011 |
x,y,z |
1_555 |
5 |
1 |
326 |
19.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
[GMH]A:1011 |
4 |
1 |
326 |
f |
[KDO]A:1008 |
x,y,z |
1_555 |
5 |
1 |
354 |
19.4 |
-0.4 |
0.247 |
0 |
0 |
0 |
0.000 |
64 |
|
[KDO]A:1009 |
7 |
1 |
359 |
f |
[GCN]A:1001 |
x,y,z |
1_555 |
3 |
1 |
295 |
18.8 |
0.4 |
0.352 |
0 |
0 |
0 |
0.000 |
65 |
|
[FTT]A:1004 |
3 |
1 |
497 |
f |
[FTT]A:1002 |
x,y,z |
1_555 |
2 |
1 |
494 |
18.7 |
0.7 |
0.248 |
0 |
0 |
0 |
0.000 |
66 |
|
[NI]A:1021 |
1 |
1 |
115 |
◊ |
[GLC]A:1017 |
x,y,z |
1_555 |
4 |
1 |
289 |
17.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
|
[GLC]A:1017 |
1 |
1 |
289 |
f |
[PO4]A:1016 |
x,y,z |
1_555 |
2 |
1 |
174 |
17.1 |
-0.0 |
0.876 |
0 |
0 |
0 |
0.000 |
68 |
|
[FTT]A:1005 |
3 |
1 |
440 |
f |
[GCN]A:1000 |
x,y,z |
1_555 |
3 |
1 |
295 |
17.0 |
0.9 |
0.227 |
0 |
0 |
0 |
0.000 |
69 |
|
[GLC]A:1018 |
2 |
1 |
294 |
f |
[GMH]A:1011 |
x,y,z |
1_555 |
3 |
1 |
326 |
15.9 |
0.6 |
0.210 |
0 |
0 |
0 |
0.000 |
70 |
|
[GMH]A:1012 |
3 |
1 |
325 |
f |
[KDO]A:1008 |
x,y,z |
1_555 |
3 |
1 |
354 |
14.7 |
0.6 |
0.392 |
0 |
0 |
0 |
0.000 |
71 |
|
[GLC]A:1017 |
3 |
1 |
289 |
f |
[KDO]A:1009 |
x,y,z |
1_555 |
2 |
1 |
359 |
14.3 |
0.3 |
0.271 |
0 |
0 |
0 |
0.000 |
72 |
|
[PO4]A:1016 |
2 |
1 |
174 |
f |
[GMH]A:1012 |
x,y,z |
1_555 |
3 |
1 |
325 |
12.5 |
-0.1 |
0.499 |
0 |
0 |
0 |
0.000 |
73 |
|
[FTT]A:1003 |
3 |
1 |
267 |
f |
[GCN]A:1001 |
x,y,z |
1_555 |
2 |
1 |
295 |
12.4 |
0.4 |
0.529 |
0 |
0 |
0 |
0.000 |
74 |
|
[GLA]A:1019 |
2 |
1 |
288 |
f |
[GLC]A:1020 |
x,y,z |
1_555 |
2 |
1 |
294 |
11.8 |
0.8 |
0.264 |
0 |
0 |
0 |
0.000 |
75 |
|
[PO4]A:1014 |
1 |
1 |
175 |
f |
[FTT]A:1007 |
x,y,z |
1_555 |
2 |
1 |
485 |
11.0 |
-0.2 |
0.469 |
0 |
0 |
0 |
0.000 |
76 |
|
[FTT]A:1003 |
1 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
27889 |
9.2 |
0.3 |
0.932 |
0 |
0 |
0 |
0.000 |
77 |
|
[DPO]A:1015 |
2 |
1 |
243 |
f |
[KDO]A:1008 |
x,y,z |
1_555 |
2 |
1 |
354 |
9.0 |
-0.1 |
0.421 |
0 |
0 |
0 |
0.000 |
78 |
|
[FTT]A:1006 |
1 |
1 |
498 |
f |
[GCN]A:1000 |
x,y,z |
1_555 |
2 |
1 |
295 |
8.7 |
0.2 |
0.265 |
0 |
0 |
0 |
0.000 |
79 |
|
[DPO]A:1013 |
1 |
1 |
243 |
f |
[KDO]A:1009 |
x,y,z |
1_555 |
3 |
1 |
359 |
8.5 |
-0.2 |
0.348 |
0 |
0 |
0 |
0.000 |
80 |
|
[NI]A:1021 |
1 |
1 |
115 |
◊ |
[GLA]A:1019 |
x,y,z |
1_555 |
2 |
1 |
288 |
8.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
81 |
|
[KDO]A:1008 |
3 |
1 |
354 |
f |
[GCN]A:1000 |
x,y,z |
1_555 |
1 |
1 |
295 |
8.0 |
0.5 |
0.566 |
0 |
0 |
0 |
0.000 |
82 |
|
[DPO]A:1015 |
1 |
1 |
243 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
27889 |
7.9 |
0.4 |
0.485 |
0 |
0 |
0 |
0.000 |
83 |
|
[GLA]A:1019 |
2 |
1 |
288 |
f |
[GLC]A:1018 |
x,y,z |
1_555 |
1 |
1 |
294 |
7.4 |
0.3 |
0.219 |
0 |
0 |
0 |
0.000 |
84 |
|
[DPO]A:1013 |
2 |
1 |
243 |
f |
[FTT]A:1003 |
x,y,z |
1_555 |
1 |
1 |
267 |
6.5 |
0.2 |
0.530 |
0 |
0 |
0 |
0.000 |
85 |
|
[FTT]A:1005 |
2 |
1 |
440 |
f |
[GCN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
295 |
5.8 |
0.2 |
0.188 |
0 |
0 |
0 |
0.000 |
86 |
|
[GLC]A:1017 |
2 |
1 |
289 |
f |
[GMH]A:1010 |
x,y,z |
1_555 |
1 |
1 |
326 |
3.5 |
0.2 |
0.202 |
0 |
0 |
0 |
0.000 |
87 |
|
[GLC]A:1017 |
1 |
1 |
289 |
f |
[DPO]A:1015 |
x,y,z |
1_555 |
1 |
1 |
243 |
3.2 |
0.1 |
0.213 |
0 |
0 |
0 |
0.000 |
88 |
|
[GMH]A:1010 |
1 |
1 |
326 |
f |
[GCN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
295 |
2.3 |
0.1 |
0.175 |
0 |
0 |
0 |
0.000 |
89 |
|
[FTT]A:1007 |
1 |
1 |
485 |
f |
[GCN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
295 |
1.1 |
0.1 |
0.231 |
0 |
0 |
0 |
0.000 |
90 |
|
[PO4]A:1016 |
1 |
1 |
174 |
f |
[GMH]A:1010 |
x,y,z |
1_555 |
1 |
1 |
326 |
1.1 |
0.0 |
0.340 |
0 |
0 |
0 |
0.000 |
|