## |
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 |
241 |
72 |
15792 |
◊ |
A |
x,y,z |
1_555 |
248 |
80 |
15532 |
2355.3 |
-22.1 |
0.144 |
30 |
14 |
0 |
0.546 |
2 |
2 |
|
B |
68 |
19 |
15792 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
67 |
18 |
15532 |
590.4 |
-2.6 |
0.566 |
7 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
52 |
18 |
15792 |
◊ |
B |
x,x-y+1,-z+1/6 |
12_565 |
52 |
18 |
15792 |
471.9 |
-6.0 |
0.215 |
11 |
0 |
0 |
0.111 |
4 |
|
A |
47 |
17 |
15532 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
47 |
17 |
15532 |
470.5 |
-6.7 |
0.096 |
3 |
0 |
0 |
0.111 |
Average: |
471.2 |
-6.3 |
0.155 |
7 |
0 |
0 |
0.111 |
4 |
5 |
|
B |
52 |
13 |
15792 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
50 |
12 |
15532 |
457.6 |
-3.9 |
0.384 |
5 |
4 |
0 |
0.079 |
5 |
6 |
|
[PPK]B:802 |
12 |
1 |
330 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
15792 |
153.8 |
-1.2 |
0.846 |
8 |
0 |
0 |
0.070 |
6 |
7 |
|
[PPK]A:704 |
12 |
1 |
331 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
15532 |
150.2 |
-1.1 |
0.874 |
8 |
0 |
0 |
0.068 |
7 |
8 |
|
B |
16 |
5 |
15792 |
◊ |
B |
y,x,-z+1/3 |
7_555 |
15 |
5 |
15792 |
130.6 |
-2.2 |
0.289 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[PPK]A:704 |
10 |
1 |
331 |
◊ |
B |
x,y,z |
1_555 |
19 |
10 |
15792 |
123.5 |
-1.1 |
0.868 |
3 |
0 |
0 |
0.035 |
9 |
10 |
|
[PPK]B:802 |
11 |
1 |
330 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
15532 |
116.6 |
-0.5 |
0.900 |
2 |
0 |
0 |
0.020 |
10 |
11 |
|
A |
10 |
4 |
15532 |
x |
A |
x-y,x,z+1/6 |
6_555 |
12 |
4 |
15532 |
115.2 |
-1.2 |
0.308 |
1 |
1 |
0 |
0.000 |
11 |
12 |
|
[EDO]B:801 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
15792 |
96.2 |
2.7 |
0.498 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
B |
10 |
3 |
15792 |
x |
B |
x-y,x,z+1/6 |
6_555 |
9 |
3 |
15792 |
91.4 |
-1.3 |
0.338 |
0 |
1 |
0 |
0.000 |
13 |
14 |
|
[PO4]A:706 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
15532 |
77.7 |
-4.5 |
0.818 |
0 |
0 |
0 |
0.065 |
14 |
15 |
|
[EDO]A:702 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
15532 |
75.9 |
1.9 |
0.251 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:703 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15532 |
75.4 |
2.3 |
0.274 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]A:701 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15532 |
72.8 |
2.3 |
0.304 |
2 |
0 |
0 |
0.000 |
17 |
18 |
|
B |
14 |
4 |
15792 |
◊ |
[EDO]A:701 |
x-y,x,z+1/6 |
6_555 |
4 |
1 |
183 |
71.9 |
2.1 |
0.299 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
B |
12 |
3 |
15792 |
◊ |
[PO4]A:706 |
x-y,x,z+1/6 |
6_555 |
5 |
1 |
189 |
63.9 |
-2.5 |
0.907 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
15532 |
41.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.137 |
21 |
|
[MG]B:803 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15792 |
40.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
41.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.137 |
20 |
22 |
|
[EDO]A:702 |
3 |
1 |
185 |
f |
A |
x-y,x,z+1/6 |
6_555 |
7 |
3 |
15532 |
40.9 |
0.6 |
0.685 |
2 |
0 |
0 |
0.004 |
21 |
23 |
|
[MG]B:803 |
1 |
1 |
98 |
f |
[PPK]B:802 |
x,y,z |
1_555 |
3 |
1 |
330 |
34.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.127 |
24 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
[PPK]A:704 |
x,y,z |
1_555 |
5 |
1 |
331 |
34.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
34.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.127 |
22 |
25 |
|
[EDO]B:801 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
15532 |
10.6 |
0.5 |
0.907 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[MG]B:803 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15532 |
8.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
27 |
|
[MG]A:705 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15792 |
4.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
6.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.012 |
24 |
28 |
|
[PO4]A:706 |
1 |
1 |
189 |
f |
[EDO]A:701 |
x,y,z |
1_555 |
1 |
1 |
183 |
5.8 |
-0.2 |
0.894 |
0 |
0 |
0 |
0.003 |
|