## |
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 |
363 |
100 |
21891 |
x |
A |
-y+1,x-y+1,z |
2_665 |
328 |
93 |
21891 |
3111.5 |
-31.4 |
0.156 |
40 |
14 |
0 |
0.000 |
2 |
|
A |
23 |
8 |
21891 |
x |
A |
x-1/3,y-2/3,z+1/3 |
4_445 |
17 |
7 |
21891 |
195.3 |
-2.9 |
0.157 |
2 |
0 |
0 |
0.000 |
3 |
|
[PGR]A:1298 |
5 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
21891 |
105.0 |
2.9 |
0.330 |
0 |
0 |
0 |
0.000 |
4 |
|
[EDO]A:1314 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
21891 |
93.7 |
2.5 |
0.419 |
3 |
0 |
0 |
0.000 |
5 |
|
[GOL]A:1302 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
21891 |
92.7 |
-0.6 |
0.442 |
2 |
0 |
0 |
0.013 |
6 |
|
[PO4]A:1306 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
21891 |
92.5 |
-5.4 |
0.855 |
5 |
0 |
0 |
0.062 |
7 |
|
[EDO]A:1294 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
21891 |
89.5 |
1.8 |
0.262 |
2 |
0 |
0 |
0.000 |
8 |
|
A |
17 |
4 |
21891 |
◊ |
[GOL]A:1302 |
-y+1,x-y+1,z |
2_665 |
6 |
1 |
219 |
83.2 |
-0.1 |
0.631 |
2 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:1313 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
21891 |
82.2 |
1.9 |
0.262 |
3 |
0 |
0 |
0.000 |
10 |
|
[GOL]A:1303 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
21891 |
80.6 |
-1.5 |
0.267 |
0 |
0 |
0 |
0.012 |
11 |
|
[EDO]A:1297 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21891 |
78.9 |
1.9 |
0.283 |
3 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:1291 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21891 |
77.8 |
1.7 |
0.790 |
2 |
0 |
0 |
0.000 |
13 |
|
A |
12 |
5 |
21891 |
◊ |
[PGR]A:1299 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
208 |
76.6 |
3.7 |
0.264 |
0 |
0 |
0 |
0.000 |
14 |
|
[GOL]A:1301 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
21891 |
76.6 |
-0.0 |
0.633 |
3 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:1289 |
4 |
1 |
184 |
f |
A |
-y+1,x-y+1,z |
2_665 |
11 |
4 |
21891 |
75.4 |
0.8 |
0.589 |
1 |
0 |
0 |
0.000 |
16 |
|
A |
10 |
5 |
21891 |
x |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
5 |
3 |
21891 |
75.4 |
1.2 |
0.853 |
2 |
4 |
0 |
0.000 |
17 |
|
[EDO]A:1292 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21891 |
75.2 |
2.1 |
0.251 |
4 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:1296 |
4 |
1 |
184 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
16 |
8 |
21891 |
73.8 |
2.4 |
0.292 |
2 |
0 |
0 |
0.000 |
19 |
|
[GOL]A:1300 |
6 |
1 |
216 |
f |
A |
-y+1,x-y+1,z |
2_665 |
16 |
8 |
21891 |
72.3 |
-0.3 |
0.575 |
4 |
0 |
0 |
0.017 |
20 |
|
A |
12 |
4 |
21891 |
◊ |
[GOL]A:1303 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
220 |
71.5 |
-1.0 |
0.386 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
14 |
6 |
21891 |
◊ |
[EDO]A:1313 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
182 |
70.5 |
1.5 |
0.256 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:1295 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
21891 |
70.2 |
1.8 |
0.259 |
0 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:1312 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
21891 |
69.2 |
1.4 |
0.692 |
1 |
0 |
0 |
0.000 |
24 |
|
[PO4]A:1308 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
21891 |
67.7 |
-3.8 |
0.810 |
2 |
0 |
0 |
0.039 |
25 |
|
[GOL]A:1304 |
5 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
21891 |
67.5 |
-1.1 |
0.334 |
2 |
0 |
0 |
0.016 |
26 |
|
[EDO]A:1289 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
21891 |
67.2 |
2.2 |
0.286 |
1 |
0 |
0 |
0.000 |
27 |
|
[GOL]A:1300 |
6 |
1 |
216 |
◊ |
[GOL]A:1301 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
218 |
65.5 |
-0.3 |
0.483 |
0 |
0 |
0 |
0.000 |
28 |
|
[CO2]A:1309 |
3 |
1 |
146 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
21891 |
65.4 |
0.9 |
0.492 |
1 |
0 |
0 |
0.000 |
29 |
|
A |
13 |
6 |
21891 |
◊ |
[GOL]A:1304 |
-y+1,x-y+1,z |
2_665 |
6 |
1 |
222 |
64.7 |
0.0 |
0.563 |
2 |
0 |
0 |
0.000 |
30 |
|
[PGR]A:1299 |
5 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
21891 |
62.8 |
1.8 |
0.769 |
1 |
0 |
0 |
0.000 |
31 |
|
A |
12 |
4 |
21891 |
◊ |
[EDO]A:1290 |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
184 |
61.7 |
1.6 |
0.281 |
1 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:1290 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
21891 |
61.3 |
1.5 |
0.745 |
1 |
0 |
0 |
0.000 |
33 |
|
A |
11 |
4 |
21891 |
f |
[GOL]A:1301 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
218 |
60.0 |
-0.4 |
0.497 |
2 |
0 |
0 |
0.010 |
34 |
|
[GOL]A:1300 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
21891 |
60.0 |
-0.4 |
0.517 |
2 |
0 |
0 |
0.000 |
35 |
|
A |
8 |
3 |
21891 |
◊ |
[PO4]A:1308 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
189 |
58.1 |
-3.5 |
0.752 |
0 |
0 |
0 |
0.000 |
36 |
|
[CO2]A:1311 |
3 |
1 |
147 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
21891 |
54.9 |
-0.5 |
0.327 |
0 |
0 |
0 |
0.004 |
37 |
|
A |
6 |
3 |
21891 |
f |
[PO4]A:1307 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
187 |
52.3 |
-3.2 |
0.720 |
2 |
0 |
0 |
0.033 |
38 |
|
[PO4]A:1307 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
21891 |
49.8 |
-3.2 |
0.674 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:1293 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
21891 |
48.7 |
0.8 |
0.237 |
0 |
0 |
0 |
0.000 |
40 |
|
[MG]A:624 |
1 |
1 |
98 |
fx |
[MG]A:624 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
98 |
47.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.100 |
41 |
|
[EDO]A:1312 |
3 |
1 |
184 |
f |
A |
x-1/3,y-2/3,z+1/3 |
4_445 |
7 |
4 |
21891 |
46.0 |
0.9 |
0.669 |
1 |
0 |
0 |
0.000 |
42 |
|
[MG]A:623 |
1 |
1 |
98 |
fx |
[MG]A:623 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
98 |
44.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.100 |
43 |
|
A |
10 |
4 |
21891 |
◊ |
[GOL]A:1305 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
215 |
44.2 |
0.4 |
0.720 |
4 |
0 |
0 |
0.000 |
44 |
|
[GOL]A:1305 |
6 |
1 |
215 |
x |
[GOL]A:1305 |
-y+1,x-y+1,z |
2_665 |
6 |
1 |
215 |
42.8 |
-0.3 |
0.535 |
0 |
0 |
0 |
0.000 |
45 |
|
A |
5 |
2 |
21891 |
f |
[EDO]A:1296 |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
184 |
42.2 |
1.3 |
0.881 |
2 |
0 |
0 |
0.000 |
46 |
|
[GOL]A:1305 |
6 |
1 |
215 |
f |
A |
-y+1,x-y+1,z |
2_665 |
9 |
5 |
21891 |
42.0 |
-0.4 |
0.553 |
3 |
0 |
0 |
0.014 |
47 |
|
[MG]A:623 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
8 |
4 |
21891 |
40.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
A |
4 |
2 |
21891 |
◊ |
[EDO]A:1292 |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
184 |
38.8 |
0.7 |
0.464 |
0 |
0 |
0 |
0.000 |
49 |
|
[PO4]A:1307 |
4 |
1 |
187 |
◊ |
[EDO]A:1292 |
x,y,z |
1_555 |
4 |
1 |
184 |
38.0 |
-0.8 |
0.986 |
0 |
0 |
0 |
0.000 |
50 |
|
[MG]A:624 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
6 |
2 |
21891 |
32.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[GOL]A:1305 |
5 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
21891 |
32.6 |
-0.3 |
0.539 |
0 |
0 |
0 |
0.000 |
52 |
|
[EDO]A:1296 |
2 |
1 |
184 |
x |
[EDO]A:1296 |
-y+1,x-y+1,z |
2_665 |
2 |
1 |
184 |
27.4 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
53 |
|
[EDO]A:1314 |
4 |
1 |
185 |
◊ |
[EDO]A:1289 |
x,y,z |
1_555 |
3 |
1 |
184 |
27.1 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
54 |
|
[EDO]A:1293 |
2 |
1 |
182 |
◊ |
[GOL]A:1304 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
222 |
26.9 |
0.8 |
0.512 |
0 |
0 |
0 |
0.000 |
55 |
|
[EDO]A:1293 |
4 |
1 |
182 |
x |
[EDO]A:1293 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
182 |
26.8 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
56 |
|
[GOL]A:1304 |
5 |
1 |
222 |
f |
[EDO]A:1293 |
x,y,z |
1_555 |
3 |
1 |
182 |
25.4 |
0.8 |
0.724 |
0 |
0 |
0 |
0.000 |
57 |
|
A |
7 |
3 |
21891 |
◊ |
[EDO]A:1293 |
-y+1,x-y+1,z |
2_665 |
2 |
1 |
182 |
21.4 |
0.2 |
0.737 |
0 |
0 |
0 |
0.000 |
58 |
|
[EDO]A:1314 |
1 |
1 |
185 |
◊ |
[PO4]A:1308 |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
189 |
17.4 |
-0.4 |
0.704 |
0 |
0 |
0 |
0.000 |
59 |
|
[GOL]A:1304 |
1 |
1 |
222 |
x |
[GOL]A:1304 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
222 |
13.9 |
0.2 |
0.499 |
0 |
0 |
0 |
0.000 |
60 |
|
[EDO]A:1314 |
3 |
1 |
185 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
3 |
2 |
21891 |
12.4 |
0.4 |
0.818 |
0 |
0 |
0 |
0.000 |
61 |
|
[CO2]A:1309 |
2 |
1 |
146 |
f |
[PGR]A:1299 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
208 |
8.6 |
0.4 |
0.745 |
0 |
0 |
0 |
0.000 |
62 |
|
[EDO]A:1293 |
2 |
1 |
182 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
4 |
2 |
21891 |
4.2 |
0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
63 |
|
[PO4]A:1306 |
1 |
1 |
187 |
◊ |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
21891 |
4.0 |
-0.2 |
0.789 |
0 |
0 |
0 |
0.000 |
64 |
|
[GOL]A:1304 |
2 |
1 |
222 |
◊ |
[EDO]A:1293 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
182 |
1.0 |
0.0 |
0.764 |
0 |
0 |
0 |
0.000 |
|