| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
B |
450 |
111 |
21241 |
◊ |
A |
x,y,z |
1_555 |
452 |
113 |
21124 |
4062.4 |
-41.8 |
0.006 |
79 |
17 |
0 |
1.000 |
| 2 |
2 |
|
[LTS]B:601 |
32 |
1 |
671 |
f |
B |
x,y,z |
1_555 |
63 |
20 |
21241 |
461.8 |
1.4 |
0.292 |
4 |
0 |
0 |
0.007 |
3 |
|
[LTS]A:601 |
33 |
1 |
668 |
f |
A |
x,y,z |
1_555 |
60 |
19 |
21124 |
459.8 |
1.6 |
0.280 |
4 |
0 |
0 |
0.007 |
| Average: |
460.8 |
1.5 |
0.286 |
4 |
0 |
0 |
0.007 |
| 3 |
4 |
|
A |
38 |
12 |
21124 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
49 |
17 |
21241 |
388.8 |
2.2 |
0.743 |
7 |
3 |
0 |
0.000 |
| 4 |
5 |
|
B |
28 |
9 |
21241 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
27 |
7 |
21241 |
287.0 |
-2.5 |
0.278 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
26 |
6 |
21124 |
x |
A |
-x,y-1/2,-z |
2_545 |
28 |
9 |
21124 |
264.4 |
-2.6 |
0.244 |
2 |
0 |
0 |
0.000 |
| Average: |
275.7 |
-2.5 |
0.261 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
24 |
6 |
21124 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
6 |
21241 |
213.2 |
-3.2 |
0.177 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[PO4]A:602 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
21124 |
112.4 |
-5.4 |
0.820 |
7 |
0 |
0 |
0.370 |
| 7 |
9 |
|
[PO4]B:602 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
21241 |
111.8 |
-5.5 |
0.822 |
6 |
0 |
0 |
0.109 |
| 8 |
10 |
|
[EDO]B:603 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
21241 |
110.3 |
3.7 |
0.453 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]A:603 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
21124 |
108.6 |
3.6 |
0.463 |
3 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]B:604 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
21241 |
101.8 |
3.3 |
0.473 |
3 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]A:604 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
21124 |
100.9 |
3.6 |
0.516 |
3 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[EDO]B:605 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
21241 |
97.0 |
3.6 |
0.506 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[EDO]A:606 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
18 |
11 |
21124 |
90.5 |
2.5 |
0.279 |
2 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[LTS]A:601 |
13 |
1 |
668 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
21241 |
86.6 |
0.3 |
0.281 |
0 |
0 |
0 |
0.000 |
17 |
|
[LTS]B:601 |
12 |
1 |
671 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
21124 |
84.2 |
0.2 |
0.286 |
0 |
0 |
0 |
0.000 |
| Average: |
85.4 |
0.2 |
0.284 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[EDO]B:606 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
11 |
21241 |
83.4 |
2.5 |
0.288 |
1 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]B:607 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
21124 |
83.0 |
2.0 |
0.409 |
2 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:605 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
21241 |
82.7 |
2.0 |
0.408 |
2 |
0 |
0 |
0.000 |
| Average: |
82.8 |
2.0 |
0.409 |
2 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[EDO]B:607 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
21241 |
58.9 |
1.2 |
0.199 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:605 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
21124 |
57.7 |
1.2 |
0.207 |
1 |
0 |
0 |
0.000 |
| Average: |
58.3 |
1.2 |
0.203 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[EDO]B:606 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
21124 |
34.8 |
1.8 |
0.962 |
1 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[EDO]A:606 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
21241 |
33.4 |
1.7 |
0.962 |
1 |
0 |
0 |
0.000 |
| 20 |
25 |
|
A |
1 |
1 |
21124 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
21241 |
15.4 |
0.5 |
0.644 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[PO4]B:602 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
21124 |
12.9 |
-0.7 |
0.777 |
0 |
0 |
0 |
0.009 |
| 22 |
27 |
|
[PO4]A:602 |
2 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
21241 |
12.4 |
-0.7 |
0.761 |
0 |
0 |
0 |
0.009 |
| 23 |
28 |
|
[EDO]B:606 |
1 |
1 |
184 |
f |
[PO4]A:602 |
x,y,z |
1_555 |
1 |
1 |
188 |
9.5 |
-0.4 |
0.894 |
0 |
0 |
0 |
0.018 |
| 24 |
29 |
|
[EDO]A:606 |
1 |
1 |
183 |
f |
[PO4]B:602 |
x,y,z |
1_555 |
1 |
1 |
188 |
8.0 |
-0.3 |
0.894 |
0 |
0 |
0 |
0.005 |
| 25 |
30 |
|
B |
1 |
1 |
21241 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
21241 |
1.8 |
0.1 |
0.760 |
0 |
0 |
0 |
0.000 |
|