## |
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 |
|
A |
102 |
33 |
41302 |
x |
A |
x-y,x,z-1/6 |
2_554 |
114 |
41 |
41302 |
946.7 |
-6.0 |
0.212 |
4 |
5 |
0 |
0.000 |
2 |
|
A |
58 |
23 |
41302 |
x |
A |
-x,-y-1,z-1/2 |
4_544 |
58 |
17 |
41302 |
643.2 |
-5.1 |
0.132 |
7 |
4 |
0 |
0.000 |
3 |
|
[ADP]A:1312 |
26 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
67 |
26 |
41302 |
381.8 |
-4.1 |
0.639 |
8 |
0 |
0 |
0.003 |
4 |
|
A |
37 |
14 |
41302 |
x |
A |
-y-1,x-y-1,z-1/3 |
3_444 |
38 |
12 |
41302 |
314.4 |
-3.0 |
0.244 |
1 |
0 |
0 |
0.000 |
5 |
|
[GOL]A:1338 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
41302 |
134.7 |
-1.0 |
0.415 |
0 |
0 |
0 |
0.000 |
6 |
|
[GOL]A:1340 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
41302 |
133.4 |
-0.7 |
0.438 |
4 |
0 |
0 |
0.000 |
7 |
|
[GOL]A:1343 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
41302 |
126.2 |
0.3 |
0.646 |
6 |
0 |
0 |
0.000 |
8 |
|
[GOL]A:1337 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
41302 |
125.8 |
-0.2 |
0.515 |
5 |
0 |
0 |
0.000 |
9 |
|
[SO4]A:1313 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
41302 |
124.0 |
-17.2 |
0.811 |
4 |
0 |
0 |
0.007 |
10 |
|
[GOL]A:1331 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
41302 |
123.8 |
0.5 |
0.644 |
4 |
0 |
0 |
0.000 |
11 |
|
[SO4]A:1329 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
41302 |
122.3 |
-15.4 |
0.826 |
3 |
0 |
0 |
0.006 |
12 |
|
[GOL]A:1347 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
41302 |
121.9 |
-1.1 |
0.380 |
2 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:1302 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
13 |
41302 |
120.8 |
4.0 |
0.648 |
2 |
0 |
0 |
0.000 |
14 |
|
[GOL]A:1346 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
41302 |
114.9 |
-0.4 |
0.444 |
4 |
0 |
0 |
0.000 |
15 |
|
[GOL]A:1332 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
41302 |
114.5 |
0.4 |
0.625 |
5 |
0 |
0 |
0.000 |
16 |
|
[GOL]A:1330 |
6 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
41302 |
111.2 |
0.3 |
0.588 |
5 |
0 |
0 |
0.000 |
17 |
|
[GOL]A:1334 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
41302 |
110.9 |
0.8 |
0.713 |
5 |
0 |
0 |
0.000 |
18 |
|
[GOL]A:1333 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
41302 |
110.6 |
-0.3 |
0.493 |
2 |
0 |
0 |
0.000 |
19 |
|
[SO4]A:1327 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
41302 |
109.5 |
-15.2 |
0.807 |
5 |
0 |
0 |
0.006 |
20 |
|
[GOL]A:1336 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
41302 |
101.8 |
0.5 |
0.586 |
4 |
0 |
0 |
0.000 |
21 |
|
[SO4]A:1328 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
41302 |
101.6 |
-13.9 |
0.818 |
2 |
0 |
0 |
0.005 |
22 |
|
[GOL]A:1341 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
41302 |
99.8 |
-0.1 |
0.577 |
2 |
0 |
0 |
0.000 |
23 |
|
[SO4]A:1314 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
41302 |
99.7 |
-16.3 |
0.650 |
4 |
0 |
0 |
0.006 |
24 |
|
[EDO]A:1308 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
41302 |
99.1 |
3.2 |
0.488 |
0 |
0 |
0 |
0.000 |
25 |
|
[GOL]A:1344 |
6 |
1 |
220 |
f |
A |
x-y,x,z-1/6 |
2_554 |
22 |
9 |
41302 |
98.8 |
-0.7 |
0.476 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:1310 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
41302 |
98.4 |
2.5 |
0.274 |
2 |
0 |
0 |
0.000 |
27 |
|
[SO4]A:1318 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
41302 |
96.7 |
-14.3 |
0.547 |
4 |
0 |
0 |
0.006 |
28 |
|
[SO4]A:1316 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
41302 |
95.3 |
-11.7 |
0.875 |
3 |
0 |
0 |
0.005 |
29 |
|
[SO4]A:1317 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
41302 |
94.8 |
-13.3 |
0.816 |
3 |
0 |
0 |
0.005 |
30 |
|
[EDO]A:1309 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
41302 |
91.6 |
3.0 |
0.306 |
1 |
0 |
0 |
0.000 |
31 |
|
[SO4]A:1320 |
5 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
41302 |
90.0 |
-13.5 |
0.673 |
3 |
0 |
0 |
0.005 |
32 |
|
[GOL]A:1342 |
6 |
1 |
212 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
41302 |
88.2 |
0.1 |
0.593 |
3 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:1307 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
41302 |
88.0 |
3.7 |
0.343 |
2 |
0 |
0 |
0.000 |
34 |
|
[SO4]A:1326 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
41302 |
87.5 |
-13.2 |
0.570 |
3 |
0 |
0 |
0.005 |
35 |
|
A |
13 |
4 |
41302 |
f |
[GOL]A:1341 |
x-y,x,z-1/6 |
2_554 |
6 |
1 |
216 |
85.1 |
-0.8 |
0.448 |
1 |
0 |
0 |
0.000 |
36 |
|
[GOL]A:1335 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
41302 |
84.2 |
-0.1 |
0.546 |
1 |
0 |
0 |
0.000 |
37 |
|
A |
15 |
5 |
41302 |
f |
[GOL]A:1335 |
x-y,x,z-1/6 |
2_554 |
6 |
1 |
216 |
81.4 |
-0.9 |
0.423 |
1 |
0 |
0 |
0.000 |
38 |
|
[EDO]A:1301 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
41302 |
80.6 |
1.4 |
0.194 |
3 |
0 |
0 |
0.000 |
39 |
|
[SO4]A:1322 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
41302 |
80.0 |
-11.4 |
0.727 |
2 |
0 |
0 |
0.004 |
40 |
|
[EDO]A:1305 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
41302 |
79.6 |
1.9 |
0.221 |
1 |
0 |
0 |
0.000 |
41 |
|
[GOL]A:1339 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
41302 |
77.6 |
0.6 |
0.625 |
2 |
0 |
0 |
0.000 |
42 |
|
[GOL]A:1344 |
5 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
41302 |
76.2 |
0.0 |
0.550 |
2 |
0 |
0 |
0.000 |
43 |
|
[SO4]A:1324 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
41302 |
73.0 |
-9.5 |
0.912 |
2 |
0 |
0 |
0.004 |
44 |
|
[SO4]A:1323 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
41302 |
72.0 |
-9.3 |
0.870 |
1 |
0 |
0 |
0.003 |
45 |
|
[GOL]A:1345 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
41302 |
71.4 |
-0.2 |
0.480 |
0 |
0 |
0 |
0.000 |
46 |
|
[EDO]A:1303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
41302 |
70.4 |
1.5 |
0.648 |
2 |
0 |
0 |
0.000 |
47 |
|
[SO4]A:1321 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
41302 |
68.9 |
-9.7 |
0.543 |
1 |
0 |
0 |
0.004 |
48 |
|
[EDO]A:1311 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
41302 |
66.9 |
0.9 |
0.556 |
1 |
0 |
0 |
0.000 |
49 |
|
[SO4]A:1325 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
41302 |
64.6 |
-8.3 |
0.813 |
1 |
0 |
0 |
0.003 |
50 |
|
[SO4]A:1319 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
41302 |
63.7 |
-7.8 |
0.907 |
3 |
0 |
0 |
0.003 |
51 |
|
[SO4]A:1315 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
41302 |
63.1 |
-9.2 |
0.584 |
1 |
0 |
0 |
0.003 |
52 |
|
[EDO]A:1306 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
41302 |
57.3 |
1.2 |
0.720 |
0 |
0 |
0 |
0.000 |
53 |
|
[EDO]A:1304 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
41302 |
55.1 |
1.5 |
0.914 |
2 |
0 |
0 |
0.000 |
54 |
|
[SO4]A:1315 |
4 |
1 |
186 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
5 |
2 |
41302 |
50.5 |
-5.8 |
0.928 |
2 |
0 |
0 |
0.000 |
55 |
|
[MG]A:1350 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
41302 |
49.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.002 |
56 |
|
[MG]A:1349 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
41302 |
46.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.002 |
57 |
|
[GOL]A:1345 |
4 |
1 |
220 |
f |
[GOL]A:1333 |
x,y,z |
1_555 |
3 |
1 |
218 |
44.9 |
-0.0 |
0.544 |
1 |
0 |
0 |
0.000 |
58 |
|
[MG]A:1348 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
41302 |
41.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.002 |
59 |
|
[MG]A:1349 |
1 |
1 |
98 |
f |
[ADP]A:1312 |
x,y,z |
1_555 |
4 |
1 |
547 |
34.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.002 |
60 |
|
[SO4]A:1317 |
4 |
1 |
185 |
f |
[EDO]A:1305 |
x,y,z |
1_555 |
3 |
1 |
181 |
32.1 |
-3.4 |
0.999 |
1 |
0 |
0 |
0.001 |
61 |
|
[MG]A:1350 |
1 |
1 |
98 |
f |
[ADP]A:1312 |
x,y,z |
1_555 |
4 |
1 |
547 |
29.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.002 |
62 |
|
[MG]A:1348 |
1 |
1 |
98 |
f |
[ADP]A:1312 |
x,y,z |
1_555 |
4 |
1 |
547 |
27.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.001 |
63 |
|
[GOL]A:1339 |
2 |
1 |
221 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
4 |
2 |
41302 |
25.3 |
0.6 |
0.732 |
1 |
0 |
0 |
0.000 |
64 |
|
[GOL]A:1330 |
2 |
1 |
223 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
3 |
2 |
41302 |
22.7 |
0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
65 |
|
A |
2 |
1 |
41302 |
◊ |
[GOL]A:1337 |
-x,-y-1,z-1/2 |
4_544 |
3 |
1 |
221 |
13.5 |
0.2 |
0.619 |
0 |
0 |
0 |
0.000 |
66 |
|
[GOL]A:1331 |
2 |
1 |
222 |
f |
[SO4]A:1316 |
x,y,z |
1_555 |
2 |
1 |
186 |
9.0 |
-1.1 |
0.748 |
0 |
0 |
0 |
0.000 |
67 |
|
[SO4]A:1319 |
3 |
1 |
186 |
◊ |
A |
-y-1,x-y-1,z-1/3 |
3_444 |
1 |
1 |
41302 |
8.9 |
-0.9 |
0.915 |
0 |
0 |
0 |
0.000 |
68 |
|
[GOL]A:1344 |
2 |
1 |
220 |
◊ |
[SO4]A:1315 |
x,y,z |
1_555 |
1 |
1 |
186 |
4.2 |
-0.5 |
0.764 |
0 |
0 |
0 |
0.000 |
69 |
|
[SO4]A:1315 |
1 |
1 |
186 |
f |
[EDO]A:1307 |
x-y,x,z-1/6 |
2_554 |
2 |
1 |
187 |
3.0 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
70 |
|
[GOL]A:1345 |
1 |
1 |
220 |
f |
[SO4]A:1325 |
x,y,z |
1_555 |
1 |
1 |
187 |
2.8 |
-0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
71 |
|
[MG]A:1350 |
1 |
1 |
98 |
f |
[MG]A:1349 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
|
[MG]A:1349 |
1 |
1 |
98 |
f |
[MG]A:1348 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
|
[MG]A:1350 |
1 |
1 |
98 |
f |
[MG]A:1348 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|