## |
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 |
|
B |
291 |
106 |
32942 |
◊ |
A |
x,y,z |
1_555 |
303 |
102 |
32202 |
2809.1 |
-63.0 |
0.862 |
3 |
0 |
0 |
1.000 |
2 |
|
[FTT]B:606 |
14 |
1 |
495 |
f |
A |
x,y,z |
1_555 |
34 |
12 |
32202 |
189.6 |
0.4 |
0.243 |
0 |
0 |
0 |
0.000 |
3 |
|
[FTT]B:607 |
11 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
32942 |
168.9 |
4.2 |
0.126 |
0 |
0 |
0 |
0.000 |
4 |
|
[FTT]B:606 |
10 |
1 |
495 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
32942 |
109.9 |
-0.7 |
0.185 |
0 |
0 |
0 |
0.031 |
5 |
|
[DAO]B:605 |
6 |
1 |
298 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
32942 |
89.8 |
1.5 |
0.082 |
0 |
0 |
0 |
0.000 |
6 |
|
[FTT]B:604 |
7 |
1 |
258 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
32942 |
85.3 |
2.4 |
0.138 |
0 |
0 |
0 |
0.000 |
7 |
|
[KDO]A:604 |
10 |
1 |
348 |
cf |
[KDO]A:603 |
x,y,z |
1_555 |
8 |
1 |
326 |
83.6 |
0.8 |
0.472 |
1 |
0 |
0 |
0.000 |
8 |
|
[FTT]B:602 |
6 |
1 |
284 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
32942 |
79.5 |
2.5 |
0.335 |
0 |
0 |
0 |
0.000 |
9 |
|
[GMH]A:605 |
6 |
1 |
319 |
cf |
[KDO]A:604 |
x,y,z |
1_555 |
9 |
1 |
348 |
79.0 |
1.7 |
0.440 |
0 |
0 |
0 |
0.000 |
10 |
|
[MYR]B:603 |
6 |
1 |
249 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
32942 |
76.9 |
1.3 |
0.010 |
0 |
0 |
0 |
0.000 |
11 |
|
[GMH]A:607 |
8 |
1 |
324 |
cf |
[KDO]A:604 |
x,y,z |
1_555 |
9 |
1 |
348 |
74.2 |
0.0 |
0.189 |
1 |
0 |
0 |
0.020 |
12 |
|
[GMH]A:605 |
8 |
1 |
319 |
cf |
[KDO]A:603 |
x,y,z |
1_555 |
9 |
1 |
326 |
72.3 |
-0.2 |
0.241 |
2 |
0 |
0 |
0.052 |
13 |
|
[FTT]B:607 |
8 |
1 |
361 |
f |
[FTT]B:606 |
x,y,z |
1_555 |
9 |
1 |
495 |
65.2 |
3.1 |
0.375 |
1 |
0 |
0 |
0.000 |
14 |
|
[GMH]A:607 |
7 |
1 |
324 |
cf |
[GMH]A:606 |
x,y,z |
1_555 |
6 |
1 |
319 |
62.2 |
2.6 |
0.194 |
1 |
0 |
0 |
0.000 |
15 |
|
[GMH]A:606 |
7 |
1 |
319 |
cf |
[GMH]A:605 |
x,y,z |
1_555 |
7 |
1 |
319 |
57.3 |
1.9 |
0.145 |
1 |
0 |
0 |
0.000 |
16 |
|
[GMH]A:607 |
8 |
1 |
324 |
f |
[GMH]A:605 |
x,y,z |
1_555 |
9 |
1 |
319 |
56.7 |
1.7 |
0.097 |
1 |
0 |
0 |
0.000 |
17 |
|
[PO4]A:610 |
4 |
1 |
173 |
cf |
[GMH]A:606 |
x,y,z |
1_555 |
7 |
1 |
319 |
56.3 |
-0.7 |
0.205 |
0 |
0 |
0 |
0.032 |
18 |
|
[PO4]A:608 |
4 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
32202 |
55.1 |
-0.2 |
0.971 |
0 |
0 |
0 |
0.012 |
19 |
|
[PA1]A:602 |
7 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
32202 |
53.3 |
0.9 |
0.261 |
0 |
0 |
0 |
0.000 |
20 |
|
[FTT]B:606 |
5 |
1 |
495 |
cf |
[PA1]A:602 |
x,y,z |
1_555 |
5 |
1 |
309 |
51.9 |
1.7 |
0.235 |
1 |
0 |
0 |
0.000 |
21 |
|
[MYR]B:603 |
4 |
1 |
249 |
cf |
[FTT]B:602 |
x,y,z |
1_555 |
7 |
1 |
284 |
51.0 |
2.6 |
0.001 |
0 |
0 |
0 |
0.000 |
22 |
|
[GMH]A:607 |
5 |
1 |
324 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
32202 |
50.9 |
1.2 |
0.451 |
1 |
0 |
0 |
0.000 |
23 |
|
[PO4]A:609 |
4 |
1 |
174 |
cf |
[GMH]A:605 |
x,y,z |
1_555 |
7 |
1 |
319 |
50.9 |
-0.8 |
0.238 |
0 |
0 |
0 |
0.036 |
24 |
|
[DAO]B:605 |
5 |
1 |
298 |
cf |
[FTT]B:604 |
x,y,z |
1_555 |
5 |
1 |
258 |
47.4 |
2.5 |
1.000 |
0 |
0 |
0 |
0.000 |
25 |
|
[PO4]A:608 |
4 |
1 |
173 |
cf |
[PA1]A:602 |
x,y,z |
1_555 |
5 |
1 |
309 |
45.7 |
-0.5 |
0.561 |
1 |
0 |
0 |
0.045 |
26 |
|
[MYR]B:603 |
5 |
1 |
249 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
32202 |
45.6 |
0.6 |
0.623 |
0 |
0 |
0 |
0.000 |
27 |
|
[KDO]A:603 |
6 |
1 |
326 |
cf |
[PA1]A:601 |
x,y,z |
1_555 |
5 |
1 |
294 |
44.9 |
1.6 |
0.425 |
0 |
0 |
0 |
0.000 |
28 |
|
[PA1]A:601 |
7 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
32942 |
44.2 |
1.5 |
0.328 |
0 |
0 |
0 |
0.000 |
29 |
|
[GMH]A:606 |
5 |
1 |
319 |
f |
[KDO]A:604 |
x,y,z |
1_555 |
5 |
1 |
348 |
43.8 |
1.1 |
0.232 |
1 |
0 |
0 |
0.000 |
30 |
|
[FTT]B:607 |
8 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
32202 |
41.8 |
0.7 |
0.838 |
0 |
0 |
0 |
0.000 |
31 |
|
[FTT]B:607 |
4 |
1 |
361 |
cf |
[PA1]A:602 |
x,y,z |
1_555 |
3 |
1 |
309 |
41.3 |
1.8 |
0.050 |
0 |
0 |
0 |
0.000 |
32 |
|
[FTT]B:604 |
5 |
1 |
258 |
f |
[FTT]B:602 |
x,y,z |
1_555 |
5 |
1 |
284 |
40.8 |
2.1 |
0.092 |
1 |
0 |
0 |
0.000 |
33 |
|
[PO4]B:601 |
4 |
1 |
174 |
cf |
[PA1]A:601 |
x,y,z |
1_555 |
7 |
1 |
294 |
40.4 |
-0.6 |
0.187 |
0 |
0 |
0 |
0.030 |
34 |
|
[FTT]B:604 |
5 |
1 |
258 |
cf |
[PA1]A:601 |
x,y,z |
1_555 |
5 |
1 |
294 |
39.8 |
1.6 |
0.470 |
0 |
0 |
0 |
0.000 |
35 |
|
[FTT]B:602 |
3 |
1 |
284 |
cf |
[PA1]A:601 |
x,y,z |
1_555 |
5 |
1 |
294 |
38.5 |
1.6 |
0.176 |
1 |
0 |
0 |
0.000 |
36 |
|
[PO4]B:601 |
3 |
1 |
174 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
32202 |
37.2 |
-1.0 |
0.898 |
0 |
0 |
0 |
0.046 |
37 |
|
[PA1]A:602 |
4 |
1 |
309 |
cf |
[PA1]A:601 |
x,y,z |
1_555 |
6 |
1 |
294 |
35.9 |
1.3 |
0.253 |
0 |
0 |
0 |
0.000 |
38 |
|
[PO4]B:601 |
4 |
1 |
174 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
32942 |
35.8 |
-0.0 |
0.970 |
0 |
0 |
0 |
0.002 |
39 |
|
[DAO]B:605 |
5 |
1 |
298 |
f |
[MYR]B:603 |
x,y,z |
1_555 |
4 |
1 |
249 |
34.0 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[DAO]B:605 |
5 |
1 |
298 |
f |
[FTT]B:602 |
x,y,z |
1_555 |
6 |
1 |
284 |
33.6 |
1.6 |
0.018 |
0 |
0 |
0 |
0.000 |
41 |
|
[KDO]A:603 |
5 |
1 |
326 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
32942 |
33.3 |
1.7 |
0.775 |
1 |
0 |
0 |
0.000 |
42 |
|
[PA1]A:602 |
5 |
1 |
309 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
32942 |
33.0 |
1.0 |
0.480 |
0 |
0 |
0 |
0.000 |
43 |
|
[PO4]A:609 |
3 |
1 |
174 |
f |
[GMH]A:607 |
x,y,z |
1_555 |
4 |
1 |
324 |
33.0 |
-1.6 |
0.289 |
1 |
0 |
0 |
0.096 |
44 |
|
[DAO]B:605 |
3 |
1 |
298 |
f |
[PA1]A:601 |
x,y,z |
1_555 |
4 |
1 |
294 |
29.9 |
1.1 |
0.522 |
1 |
0 |
0 |
0.000 |
45 |
|
[FTT]B:602 |
3 |
1 |
284 |
f |
[PO4]B:601 |
x,y,z |
1_555 |
3 |
1 |
174 |
29.8 |
-0.4 |
0.250 |
0 |
0 |
0 |
0.019 |
46 |
|
[FTT]B:606 |
3 |
1 |
495 |
f |
[PO4]A:608 |
x,y,z |
1_555 |
3 |
1 |
173 |
27.1 |
-0.6 |
0.514 |
0 |
0 |
0 |
0.027 |
47 |
|
[FTT]B:607 |
2 |
1 |
361 |
f |
[PO4]A:608 |
x,y,z |
1_555 |
3 |
1 |
173 |
26.5 |
-0.2 |
0.364 |
0 |
0 |
0 |
0.010 |
48 |
|
[DAO]B:605 |
3 |
1 |
298 |
f |
[PA1]A:602 |
x,y,z |
1_555 |
5 |
1 |
309 |
26.2 |
0.9 |
0.446 |
1 |
0 |
0 |
0.000 |
49 |
|
[FTT]B:606 |
8 |
1 |
495 |
f |
[DAO]B:605 |
x,y,z |
1_555 |
4 |
1 |
298 |
23.7 |
1.5 |
0.308 |
0 |
0 |
0 |
0.000 |
50 |
|
[PO4]A:609 |
3 |
1 |
174 |
f |
[GMH]A:606 |
x,y,z |
1_555 |
5 |
1 |
319 |
22.3 |
-0.2 |
0.275 |
0 |
0 |
0 |
0.008 |
51 |
|
[PO4]A:608 |
3 |
1 |
173 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
32942 |
21.2 |
-0.5 |
0.898 |
0 |
0 |
0 |
0.022 |
52 |
|
[PA1]A:601 |
4 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
32202 |
20.3 |
1.0 |
0.401 |
0 |
0 |
0 |
0.000 |
53 |
|
[DAO]B:605 |
4 |
1 |
298 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
32202 |
20.2 |
0.2 |
0.661 |
0 |
0 |
0 |
0.000 |
54 |
|
[KDO]A:604 |
4 |
1 |
348 |
f |
[PA1]A:602 |
x,y,z |
1_555 |
4 |
1 |
309 |
18.5 |
0.4 |
0.319 |
0 |
0 |
0 |
0.000 |
55 |
|
[PO4]A:610 |
2 |
1 |
173 |
f |
[PO4]A:609 |
x,y,z |
1_555 |
3 |
1 |
174 |
17.6 |
-1.3 |
0.889 |
0 |
0 |
0 |
0.060 |
56 |
|
[GMH]A:605 |
5 |
1 |
319 |
f |
[PA1]A:601 |
x,y,z |
1_555 |
3 |
1 |
294 |
17.5 |
0.9 |
0.215 |
0 |
0 |
0 |
0.000 |
57 |
|
[PO4]A:610 |
3 |
1 |
173 |
f |
[GMH]A:605 |
x,y,z |
1_555 |
3 |
1 |
319 |
17.4 |
0.1 |
0.472 |
0 |
0 |
0 |
0.000 |
58 |
|
[KDO]A:603 |
4 |
1 |
326 |
f |
[PA1]A:602 |
x,y,z |
1_555 |
2 |
1 |
309 |
16.8 |
1.1 |
0.470 |
0 |
0 |
0 |
0.000 |
59 |
|
[FTT]B:604 |
2 |
1 |
258 |
f |
[PO4]B:601 |
x,y,z |
1_555 |
3 |
1 |
174 |
16.6 |
-0.4 |
0.919 |
0 |
0 |
0 |
0.020 |
60 |
|
[GMH]A:607 |
3 |
1 |
324 |
f |
[KDO]A:603 |
x,y,z |
1_555 |
1 |
1 |
326 |
16.0 |
-0.3 |
0.203 |
0 |
0 |
0 |
0.013 |
61 |
|
[PO4]B:601 |
3 |
1 |
174 |
f |
[KDO]A:603 |
x,y,z |
1_555 |
4 |
1 |
326 |
15.2 |
-0.1 |
0.711 |
0 |
0 |
0 |
0.004 |
62 |
|
[MYR]B:603 |
2 |
1 |
249 |
f |
[FTT]B:604 |
x,y,z |
1_555 |
3 |
1 |
258 |
14.0 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
63 |
|
[PO4]A:609 |
2 |
1 |
174 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
32202 |
13.8 |
-0.6 |
0.921 |
0 |
0 |
0 |
0.029 |
64 |
|
[FTT]B:604 |
3 |
1 |
258 |
f |
[PA1]A:602 |
x,y,z |
1_555 |
1 |
1 |
309 |
12.4 |
0.5 |
0.500 |
0 |
0 |
0 |
0.000 |
65 |
|
[GMH]A:606 |
3 |
1 |
319 |
f |
[KDO]A:603 |
x,y,z |
1_555 |
2 |
1 |
326 |
11.4 |
-0.4 |
0.252 |
0 |
0 |
0 |
0.017 |
66 |
|
[FTT]B:607 |
2 |
1 |
361 |
f |
[DAO]B:605 |
x,y,z |
1_555 |
3 |
1 |
298 |
10.3 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
67 |
|
[FTT]B:602 |
2 |
1 |
284 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
32202 |
9.5 |
-0.1 |
0.668 |
0 |
0 |
0 |
0.003 |
68 |
|
[GMH]A:605 |
2 |
1 |
319 |
f |
[PA1]A:602 |
x,y,z |
1_555 |
1 |
1 |
309 |
6.5 |
0.3 |
0.407 |
0 |
0 |
0 |
0.000 |
69 |
|
[KDO]A:604 |
3 |
1 |
348 |
f |
[PA1]A:601 |
x,y,z |
1_555 |
2 |
1 |
294 |
6.2 |
0.3 |
0.346 |
0 |
0 |
0 |
0.000 |
70 |
|
[KDO]A:603 |
1 |
1 |
326 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
32202 |
5.0 |
-0.1 |
0.519 |
0 |
0 |
0 |
0.005 |
71 |
|
[FTT]B:602 |
2 |
1 |
284 |
f |
[PA1]A:602 |
x,y,z |
1_555 |
1 |
1 |
309 |
4.4 |
0.2 |
0.408 |
0 |
0 |
0 |
0.000 |
72 |
|
[PO4]A:610 |
1 |
1 |
173 |
f |
[GMH]A:607 |
x,y,z |
1_555 |
1 |
1 |
324 |
4.0 |
0.2 |
0.340 |
0 |
0 |
0 |
0.000 |
73 |
|
[MYR]B:603 |
2 |
1 |
249 |
f |
[PA1]A:601 |
x,y,z |
1_555 |
1 |
1 |
294 |
2.8 |
0.1 |
0.426 |
0 |
0 |
0 |
0.000 |
74 |
|
[FTT]B:606 |
2 |
1 |
495 |
f |
[PA1]A:601 |
x,y,z |
1_555 |
1 |
1 |
294 |
2.7 |
0.1 |
0.208 |
0 |
0 |
0 |
0.000 |
75 |
|
[FTT]B:604 |
1 |
1 |
258 |
f |
[KDO]A:603 |
x,y,z |
1_555 |
1 |
1 |
326 |
1.3 |
0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
76 |
|
[KDO]A:604 |
1 |
1 |
348 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
32202 |
0.9 |
-0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
77 |
|
[KDO]A:604 |
1 |
1 |
348 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
32942 |
0.5 |
0.0 |
0.402 |
0 |
0 |
0 |
0.000 |
78 |
|
[GMH]A:605 |
1 |
1 |
319 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
32202 |
0.5 |
0.0 |
0.308 |
0 |
0 |
0 |
0.000 |
79 |
|
[GMH]A:606 |
1 |
1 |
319 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
32202 |
0.3 |
0.0 |
0.327 |
0 |
0 |
0 |
0.000 |
|