| ## |
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 |
187 |
43 |
12284 |
◊ |
A |
x,y,z |
1_555 |
194 |
52 |
17951 |
1722.0 |
-9.3 |
0.401 |
32 |
20 |
0 |
0.678 |
2 |
|
B |
181 |
44 |
12284 |
x |
B |
-y+1,x-y,z |
2_655 |
157 |
41 |
12284 |
1613.2 |
-18.1 |
0.072 |
15 |
5 |
0 |
0.855 |
3 |
|
A |
154 |
37 |
17951 |
x |
A |
-y+1,x-y,z |
2_655 |
160 |
43 |
17951 |
1487.5 |
-13.5 |
0.179 |
25 |
9 |
0 |
0.568 |
4 |
|
B |
55 |
20 |
12284 |
◊ |
A |
-x+1,-y+1,z-1/2 |
4_664 |
75 |
27 |
17951 |
544.7 |
-1.6 |
0.548 |
1 |
0 |
0 |
0.000 |
5 |
|
A |
28 |
12 |
17951 |
◊ |
B |
-y+1,x-y,z |
2_655 |
27 |
6 |
12284 |
205.8 |
0.4 |
0.682 |
1 |
2 |
0 |
0.003 |
6 |
|
[EDO]B:1198 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
12284 |
119.3 |
3.9 |
0.646 |
3 |
0 |
0 |
0.000 |
7 |
|
[FES]A:1440 |
4 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
17951 |
116.6 |
-15.4 |
0.637 |
2 |
0 |
0 |
0.415 |
8 |
|
[EDO]A:1442 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
17951 |
104.8 |
2.9 |
0.452 |
3 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:1444 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
17951 |
103.2 |
3.1 |
0.515 |
5 |
0 |
0 |
0.000 |
10 |
|
[EDO]B:1200 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
12284 |
100.1 |
3.1 |
0.523 |
4 |
0 |
0 |
0.000 |
11 |
|
[EOH]A:1447 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17951 |
93.1 |
3.6 |
0.465 |
2 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:1443 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
17951 |
92.9 |
2.2 |
0.425 |
3 |
0 |
0 |
0.000 |
13 |
|
[EOH]B:1204 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
12284 |
89.6 |
3.2 |
0.308 |
0 |
0 |
0 |
0.000 |
14 |
|
[EOH]B:1203 |
3 |
1 |
173 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
12284 |
89.5 |
3.2 |
0.291 |
1 |
0 |
0 |
0.000 |
15 |
|
[EOH]B:1205 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
12284 |
88.6 |
3.3 |
0.457 |
3 |
0 |
0 |
0.000 |
16 |
|
[EOH]B:1207 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12284 |
87.3 |
3.2 |
0.319 |
1 |
0 |
0 |
0.000 |
17 |
|
[EOH]A:1449 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
17951 |
82.9 |
2.8 |
0.156 |
1 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:1199 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
12284 |
82.3 |
2.5 |
0.270 |
0 |
0 |
0 |
0.000 |
19 |
|
[EOH]A:1445 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
17951 |
79.9 |
3.7 |
0.543 |
1 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:1201 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
12284 |
78.9 |
2.1 |
0.225 |
2 |
0 |
0 |
0.000 |
21 |
|
[EOH]B:1202 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
12284 |
73.7 |
2.2 |
0.148 |
1 |
0 |
0 |
0.000 |
22 |
|
[EOH]A:1446 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
17951 |
71.4 |
2.3 |
0.000 |
2 |
0 |
0 |
0.000 |
23 |
|
[EOH]B:1202 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
17951 |
65.5 |
1.8 |
0.127 |
1 |
0 |
0 |
0.000 |
24 |
|
[EDO]B:1197 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
12284 |
65.0 |
1.4 |
0.266 |
2 |
0 |
0 |
0.000 |
25 |
|
[EOH]B:1208 |
3 |
1 |
173 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
12284 |
64.5 |
2.1 |
0.000 |
1 |
0 |
0 |
0.000 |
26 |
|
[FE]A:1441 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
17951 |
63.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.316 |
27 |
|
[EOH]A:1448 |
3 |
1 |
170 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
17951 |
62.3 |
1.5 |
0.000 |
2 |
0 |
0 |
0.000 |
28 |
|
B |
8 |
5 |
12284 |
◊ |
[EDO]B:1200 |
-y+1,x-y,z |
2_655 |
4 |
1 |
184 |
62.3 |
2.0 |
0.890 |
0 |
0 |
0 |
0.000 |
29 |
|
[EOH]B:1206 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
12284 |
61.5 |
2.2 |
0.000 |
2 |
0 |
0 |
0.000 |
30 |
|
[NI]B:1195 |
1 |
1 |
115 |
cf |
B |
x,y,z |
1_555 |
11 |
5 |
12284 |
61.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.361 |
31 |
|
[EDO]B:1197 |
4 |
1 |
185 |
◊ |
A |
-x+1,-y+1,z-1/2 |
4_664 |
9 |
3 |
17951 |
55.9 |
1.5 |
0.250 |
0 |
0 |
0 |
0.000 |
32 |
|
[EOH]A:1448 |
2 |
1 |
170 |
◊ |
B |
-y+1,x-y,z |
2_655 |
10 |
4 |
12284 |
54.9 |
2.3 |
0.465 |
0 |
0 |
0 |
0.000 |
33 |
|
[EOH]B:1206 |
3 |
1 |
172 |
f |
A |
-x+1,-y+1,z-1/2 |
4_664 |
8 |
3 |
17951 |
54.5 |
1.9 |
0.901 |
2 |
0 |
0 |
0.000 |
34 |
|
[EDO]B:1201 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
17951 |
53.9 |
1.3 |
0.731 |
2 |
0 |
0 |
0.000 |
35 |
|
B |
10 |
4 |
12284 |
◊ |
[EDO]B:1199 |
-y+1,x-y,z |
2_655 |
3 |
1 |
186 |
49.4 |
1.6 |
0.260 |
0 |
0 |
0 |
0.000 |
36 |
|
B |
4 |
2 |
12284 |
f |
[EOH]B:1203 |
-y+1,x-y,z |
2_655 |
3 |
1 |
173 |
43.2 |
0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]A:1443 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12284 |
39.8 |
1.6 |
0.671 |
1 |
0 |
0 |
0.000 |
38 |
|
B |
5 |
1 |
12284 |
f |
[EOH]A:1446 |
-x+1,-y+1,z-1/2 |
4_664 |
3 |
1 |
172 |
38.7 |
0.9 |
0.542 |
0 |
0 |
0 |
0.000 |
39 |
|
[NI]B:1196 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
12284 |
38.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.151 |
40 |
|
[EOH]B:1205 |
2 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
17951 |
37.7 |
0.8 |
0.212 |
1 |
0 |
0 |
0.000 |
41 |
|
B |
6 |
5 |
12284 |
◊ |
[NI]B:1196 |
-y+1,x-y,z |
2_655 |
1 |
1 |
115 |
33.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.091 |
42 |
|
[EDO]B:1197 |
2 |
1 |
185 |
◊ |
B |
-y+1,x-y,z |
2_655 |
6 |
2 |
12284 |
32.7 |
-0.1 |
0.606 |
1 |
0 |
0 |
0.017 |
43 |
|
[EDO]B:1197 |
4 |
1 |
185 |
◊ |
[NI]B:1196 |
-y+1,x-y,z |
2_655 |
1 |
1 |
115 |
32.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.113 |
44 |
|
[EDO]A:1442 |
3 |
1 |
184 |
f |
[FE]A:1441 |
x,y,z |
1_555 |
1 |
1 |
137 |
32.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.066 |
45 |
|
B |
4 |
2 |
12284 |
◊ |
A |
x-y+1,x,z-1/2 |
6_654 |
5 |
2 |
17951 |
25.8 |
0.2 |
0.685 |
0 |
0 |
0 |
0.000 |
46 |
|
[EOH]A:1445 |
2 |
1 |
172 |
◊ |
B |
-y+1,x-y,z |
2_655 |
3 |
1 |
12284 |
25.0 |
1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
5 |
4 |
17951 |
x |
A |
-x+1,-y+1,z-1/2 |
4_664 |
4 |
2 |
17951 |
23.6 |
1.2 |
0.893 |
0 |
0 |
0 |
0.000 |
48 |
|
[EOH]A:1445 |
1 |
1 |
172 |
◊ |
[EDO]A:1443 |
x,y,z |
1_555 |
3 |
1 |
185 |
23.6 |
1.5 |
0.577 |
0 |
0 |
0 |
0.000 |
49 |
|
[EOH]A:1448 |
1 |
1 |
170 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
12284 |
21.0 |
0.6 |
0.352 |
0 |
0 |
0 |
0.000 |
50 |
|
[EOH]B:1208 |
2 |
1 |
173 |
f |
[EOH]B:1204 |
x,y,z |
1_555 |
2 |
1 |
172 |
19.5 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[EOH]B:1208 |
1 |
1 |
173 |
◊ |
[EOH]A:1446 |
-x+1,-y+1,z-1/2 |
4_664 |
2 |
1 |
172 |
18.8 |
1.2 |
0.577 |
0 |
0 |
0 |
0.000 |
52 |
|
[EDO]B:1199 |
3 |
1 |
186 |
fx |
[EDO]B:1199 |
-y+1,x-y,z |
2_655 |
1 |
1 |
186 |
17.7 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[FES]A:1440 |
3 |
1 |
235 |
◊ |
A |
-y+1,x-y,z |
2_655 |
4 |
2 |
17951 |
17.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.032 |
54 |
|
[EOH]B:1204 |
2 |
1 |
172 |
◊ |
[EOH]A:1446 |
-x+1,-y+1,z-1/2 |
4_664 |
2 |
1 |
172 |
16.7 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
55 |
|
[NI]B:1196 |
1 |
1 |
115 |
◊ |
A |
x-y+1,x,z-1/2 |
6_654 |
1 |
1 |
17951 |
10.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
|
B |
1 |
1 |
12284 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
17951 |
6.3 |
0.2 |
0.821 |
0 |
0 |
0 |
0.000 |
57 |
|
[EOH]B:1208 |
1 |
1 |
173 |
f |
A |
-x+1,-y+1,z-1/2 |
4_664 |
2 |
1 |
17951 |
4.8 |
0.2 |
0.851 |
0 |
0 |
0 |
0.000 |
58 |
|
[EOH]A:1445 |
1 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
12284 |
3.6 |
0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
|