## |
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 |
|
L |
95 |
23 |
2900 |
◊ |
H |
x,y,z |
1_555 |
127 |
35 |
11814 |
1080.9 |
-8.7 |
0.593 |
16 |
9 |
1 |
0.524 |
2 |
|
I |
56 |
10 |
1476 |
◊ |
H |
x,y,z |
1_555 |
66 |
17 |
11814 |
586.4 |
-5.2 |
0.610 |
5 |
0 |
0 |
0.028 |
3 |
|
H |
36 |
10 |
11814 |
◊ |
H |
-x+2,y,-z+2 |
2_757 |
36 |
10 |
11814 |
405.4 |
1.5 |
0.726 |
1 |
2 |
0 |
0.000 |
4 |
|
H |
36 |
10 |
11814 |
x |
H |
-x+5/2,y-1/2,-z+3 |
4_748 |
26 |
7 |
11814 |
241.1 |
-1.6 |
0.306 |
0 |
0 |
0 |
0.000 |
5 |
|
L |
23 |
6 |
2900 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
21 |
7 |
11814 |
206.4 |
0.1 |
0.752 |
2 |
2 |
0 |
0.000 |
6 |
|
[MRZ]H:1258 |
9 |
1 |
281 |
f |
H |
x,y,z |
1_555 |
33 |
16 |
11814 |
182.3 |
5.0 |
0.353 |
2 |
0 |
0 |
0.000 |
7 |
|
[DMS]H:1254 |
4 |
1 |
208 |
f |
H |
x,y,z |
1_555 |
20 |
11 |
11814 |
133.9 |
2.0 |
0.443 |
1 |
0 |
0 |
0.000 |
8 |
|
H |
11 |
4 |
11814 |
◊ |
H |
-x+3,y,-z+3 |
2_858 |
11 |
4 |
11814 |
129.5 |
3.2 |
0.931 |
2 |
8 |
0 |
0.000 |
9 |
|
[DMS]H:1255 |
4 |
1 |
208 |
f |
H |
x,y,z |
1_555 |
22 |
7 |
11814 |
119.5 |
1.0 |
0.271 |
0 |
0 |
0 |
0.000 |
10 |
|
[NAG]H:1259 |
8 |
1 |
362 |
cf |
H |
x,y,z |
1_555 |
13 |
5 |
11814 |
111.1 |
2.8 |
0.468 |
0 |
0 |
0 |
0.000 |
11 |
|
[GOL]H:1248 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
13 |
4 |
11814 |
100.2 |
-0.2 |
0.577 |
2 |
0 |
0 |
0.026 |
12 |
|
[GOL]H:1250 |
5 |
1 |
215 |
f |
H |
x,y,z |
1_555 |
16 |
5 |
11814 |
95.5 |
0.5 |
0.697 |
2 |
0 |
0 |
0.010 |
13 |
|
[DMS]H:1257 |
4 |
1 |
209 |
◊ |
H |
x,y,z |
1_555 |
15 |
5 |
11814 |
91.5 |
1.8 |
0.336 |
0 |
0 |
0 |
0.000 |
14 |
|
[GOL]H:1249 |
6 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
11814 |
88.9 |
0.5 |
0.685 |
0 |
0 |
0 |
0.000 |
15 |
|
[PO4]H:1253 |
5 |
1 |
188 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
11814 |
87.1 |
-4.2 |
0.894 |
4 |
0 |
0 |
0.149 |
16 |
|
[NA]H:1252 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
19 |
11 |
11814 |
81.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.279 |
17 |
|
[EDO]H:1256 |
4 |
1 |
184 |
◊ |
H |
-x+3,y,-z+3 |
2_858 |
15 |
5 |
11814 |
74.6 |
2.9 |
0.324 |
2 |
0 |
0 |
0.000 |
18 |
|
H |
12 |
5 |
11814 |
f |
[DMS]H:1257 |
-x+5/2,y-1/2,-z+3 |
4_748 |
3 |
1 |
209 |
74.0 |
1.2 |
0.337 |
0 |
0 |
0 |
0.000 |
19 |
|
[IOD]H:1247 |
1 |
1 |
144 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
11814 |
72.9 |
-0.9 |
0.394 |
0 |
0 |
0 |
0.023 |
20 |
|
L |
9 |
3 |
2900 |
◊ |
L |
-x+2,y,-z+3 |
2_758 |
9 |
3 |
2900 |
66.1 |
-0.7 |
0.684 |
0 |
0 |
0 |
0.000 |
21 |
|
[NA]H:1251 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
11814 |
59.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.198 |
22 |
|
H |
4 |
1 |
11814 |
◊ |
L |
-x+5/2,y-1/2,-z+3 |
4_748 |
7 |
2 |
2900 |
58.2 |
1.1 |
0.797 |
1 |
0 |
0 |
0.000 |
23 |
|
I |
4 |
1 |
1476 |
◊ |
H |
-x+2,y,-z+2 |
2_757 |
7 |
4 |
11814 |
50.6 |
0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
24 |
|
[PO4]H:1253 |
4 |
1 |
188 |
f |
[GOL]H:1250 |
x,y,z |
1_555 |
4 |
1 |
215 |
41.4 |
-1.9 |
0.793 |
2 |
0 |
0 |
0.069 |
25 |
|
[NA]H:1251 |
1 |
1 |
125 |
◊ |
H |
-x+5/2,y-1/2,-z+3 |
4_748 |
5 |
3 |
11814 |
36.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]H:1256 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
2 |
2 |
11814 |
33.7 |
1.1 |
0.966 |
0 |
0 |
0 |
0.000 |
27 |
|
[GOL]H:1248 |
2 |
1 |
219 |
◊ |
H |
-x+3,y,-z+3 |
2_858 |
3 |
1 |
11814 |
32.2 |
0.6 |
0.729 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]H:1256 |
2 |
1 |
184 |
f |
[PO4]H:1253 |
x,y,z |
1_555 |
4 |
1 |
188 |
30.7 |
-0.7 |
0.986 |
1 |
0 |
0 |
0.027 |
29 |
|
[DMS]H:1254 |
2 |
1 |
208 |
f |
[GOL]H:1248 |
x,y,z |
1_555 |
3 |
1 |
219 |
27.4 |
0.6 |
0.468 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]H:1256 |
3 |
1 |
184 |
f |
[GOL]H:1250 |
x,y,z |
1_555 |
2 |
1 |
215 |
24.7 |
0.5 |
0.764 |
1 |
0 |
0 |
0.000 |
31 |
|
[GOL]H:1249 |
1 |
1 |
219 |
◊ |
H |
-x+5/2,y-1/2,-z+3 |
4_748 |
2 |
1 |
11814 |
22.2 |
0.0 |
0.313 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]H:1256 |
3 |
1 |
184 |
◊ |
[GOL]H:1248 |
-x+3,y,-z+3 |
2_858 |
2 |
1 |
219 |
16.2 |
0.4 |
0.866 |
0 |
0 |
0 |
0.000 |
33 |
|
[GOL]H:1249 |
1 |
1 |
219 |
f |
L |
-x+5/2,y-1/2,-z+3 |
4_748 |
4 |
2 |
2900 |
13.7 |
-0.2 |
0.611 |
0 |
0 |
0 |
0.100 |
34 |
|
H |
1 |
1 |
11814 |
x |
H |
x-1/2,y-1/2,z |
3_445 |
3 |
2 |
11814 |
12.5 |
-0.2 |
0.300 |
0 |
0 |
0 |
0.000 |
35 |
|
[PO4]H:1253 |
2 |
1 |
188 |
◊ |
H |
-x+3,y,-z+3 |
2_858 |
3 |
2 |
11814 |
2.3 |
-0.2 |
0.744 |
0 |
0 |
0 |
0.000 |
36 |
|
H |
2 |
2 |
11814 |
◊ |
H |
-x+2,y,-z+3 |
2_758 |
2 |
2 |
11814 |
2.1 |
-0.1 |
0.547 |
0 |
0 |
0 |
0.000 |
37 |
|
[MRZ]H:1258 |
1 |
1 |
281 |
f |
[DMS]H:1255 |
x,y,z |
1_555 |
1 |
1 |
208 |
1.9 |
0.1 |
0.236 |
0 |
0 |
0 |
0.000 |
38 |
|
[GOL]H:1250 |
1 |
1 |
215 |
◊ |
H |
-x+3,y,-z+3 |
2_858 |
1 |
1 |
11814 |
0.9 |
0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
|