## |
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 |
64 |
20 |
16944 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
64 |
21 |
16944 |
527.9 |
3.8 |
0.763 |
5 |
4 |
0 |
0.000 |
2 |
|
A |
59 |
21 |
16997 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
54 |
17 |
16997 |
484.6 |
5.6 |
0.849 |
4 |
5 |
0 |
0.000 |
Average: |
506.2 |
4.7 |
0.806 |
5 |
5 |
0 |
0.000 |
2 |
3 |
|
B |
46 |
14 |
16944 |
◊ |
A |
x,y,z |
1_555 |
41 |
15 |
16997 |
402.6 |
4.4 |
0.840 |
3 |
7 |
0 |
0.000 |
3 |
4 |
|
A |
38 |
14 |
16997 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
37 |
10 |
16944 |
339.5 |
1.8 |
0.654 |
6 |
0 |
0 |
0.000 |
5 |
|
A |
36 |
10 |
16997 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
41 |
13 |
16944 |
334.6 |
-0.1 |
0.482 |
6 |
0 |
0 |
0.000 |
Average: |
337.1 |
0.8 |
0.568 |
6 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
37 |
10 |
16997 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
30 |
7 |
16944 |
248.5 |
0.4 |
0.526 |
5 |
0 |
0 |
0.000 |
5 |
7 |
|
[BET]B:405 |
7 |
1 |
273 |
f |
B |
x,y,z |
1_555 |
34 |
17 |
16944 |
172.2 |
4.1 |
0.450 |
4 |
0 |
0 |
0.000 |
8 |
|
[BET]A:403 |
7 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
34 |
16 |
16997 |
169.6 |
4.0 |
0.429 |
4 |
0 |
0 |
0.000 |
Average: |
170.9 |
4.0 |
0.440 |
4 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
14 |
4 |
16944 |
◊ |
A |
x,y,z-1 |
1_554 |
21 |
9 |
16997 |
137.1 |
-2.3 |
0.171 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
6 |
4 |
16944 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
4 |
16997 |
60.6 |
-1.1 |
0.216 |
0 |
0 |
0 |
0.000 |
Average: |
98.8 |
-1.7 |
0.194 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
[PO4]B:403 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
16944 |
106.1 |
-6.7 |
0.676 |
4 |
0 |
0 |
0.030 |
8 |
12 |
|
[ACT]A:405 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
16997 |
104.9 |
-0.9 |
0.528 |
3 |
0 |
0 |
0.008 |
9 |
13 |
|
[ACT]B:402 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
16944 |
104.6 |
-0.8 |
0.536 |
3 |
0 |
0 |
0.008 |
10 |
14 |
|
[PO4]A:404 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
16997 |
104.2 |
-6.5 |
0.671 |
3 |
0 |
0 |
0.029 |
11 |
15 |
|
[PO4]B:404 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
16944 |
101.0 |
-6.4 |
0.669 |
5 |
0 |
0 |
0.031 |
12 |
16 |
|
[PO4]A:402 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
16997 |
100.6 |
-6.2 |
0.678 |
4 |
0 |
0 |
0.029 |
13 |
17 |
|
B |
9 |
5 |
16944 |
◊ |
A |
x-1,y,z-1 |
1_454 |
9 |
5 |
16997 |
72.4 |
0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
16997 |
44.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.018 |
19 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
16944 |
43.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
44.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.018 |
15 |
20 |
|
[BET]B:405 |
3 |
1 |
273 |
f |
[PO4]B:404 |
x,y,z |
1_555 |
4 |
1 |
188 |
28.4 |
-0.9 |
0.353 |
0 |
0 |
0 |
0.003 |
16 |
21 |
|
[BET]A:403 |
3 |
1 |
268 |
f |
[PO4]A:402 |
x,y,z |
1_555 |
4 |
1 |
187 |
27.8 |
-0.9 |
0.353 |
0 |
0 |
0 |
0.003 |
17 |
22 |
|
[BET]B:405 |
2 |
1 |
273 |
f |
[MG]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.007 |
23 |
|
[BET]A:403 |
2 |
1 |
268 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
25.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.007 |
18 |
24 |
|
[PO4]A:402 |
3 |
1 |
187 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.013 |
19 |
25 |
|
[PO4]B:404 |
3 |
1 |
188 |
f |
[MG]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.013 |
|