| ## |
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 |
|
A |
71 |
24 |
16596 |
◊ |
B |
x-1,y,z-1 |
1_454 |
76 |
20 |
16471 |
684.8 |
-4.8 |
0.325 |
7 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
52 |
17 |
16471 |
◊ |
A |
x,y,z |
1_555 |
53 |
15 |
16596 |
500.9 |
-5.6 |
0.225 |
5 |
3 |
0 |
0.000 |
| 3 |
3 |
|
[ADP]B:500 |
26 |
1 |
558 |
f |
B |
x,y,z |
1_555 |
61 |
25 |
16471 |
382.3 |
-6.0 |
0.570 |
16 |
0 |
0 |
0.093 |
4 |
|
[ADP]A:500 |
26 |
1 |
553 |
f |
A |
x,y,z |
1_555 |
62 |
24 |
16596 |
353.7 |
-5.6 |
0.527 |
17 |
0 |
0 |
0.093 |
| Average: |
368.0 |
-5.8 |
0.548 |
17 |
0 |
0 |
0.093 |
| 4 |
5 |
|
B |
34 |
13 |
16471 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
39 |
13 |
16596 |
354.8 |
3.6 |
0.903 |
6 |
3 |
0 |
0.000 |
| 5 |
6 |
|
B |
33 |
10 |
16471 |
x |
B |
x-1,y,z |
1_455 |
32 |
8 |
16471 |
275.0 |
0.6 |
0.720 |
7 |
4 |
0 |
0.000 |
7 |
|
A |
29 |
8 |
16596 |
x |
A |
x-1,y,z |
1_455 |
27 |
5 |
16596 |
250.2 |
1.1 |
0.738 |
7 |
0 |
0 |
0.000 |
| Average: |
262.6 |
0.8 |
0.729 |
7 |
2 |
0 |
0.000 |
| 6 |
8 |
|
[EDO]A:501 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
16596 |
113.6 |
3.0 |
0.407 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[EDO]A:505 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
16596 |
107.5 |
3.5 |
0.492 |
3 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[EDO]A:504 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
16596 |
106.3 |
3.8 |
0.518 |
3 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]A:503 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
16596 |
105.8 |
2.7 |
0.416 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]B:501 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
16471 |
100.4 |
2.3 |
0.261 |
5 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]A:506 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16596 |
99.5 |
3.0 |
0.449 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
B |
13 |
6 |
16471 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
10 |
2 |
16596 |
88.7 |
0.3 |
0.606 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
A |
6 |
4 |
16596 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
8 |
4 |
16596 |
85.9 |
2.3 |
0.927 |
1 |
2 |
0 |
0.000 |
| 14 |
16 |
|
[EDO]A:502 |
4 |
1 |
186 |
◊ |
B |
x-1,y,z-1 |
1_454 |
13 |
4 |
16471 |
80.5 |
1.6 |
0.375 |
3 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[EDO]A:502 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
16596 |
75.3 |
1.5 |
0.249 |
3 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[MG]B:400 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
16471 |
55.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.043 |
19 |
|
[MG]A:400 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16596 |
50.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
53.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.043 |
| 17 |
20 |
|
A |
3 |
2 |
16596 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
2 |
16471 |
38.0 |
0.5 |
0.807 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[EDO]A:503 |
2 |
1 |
186 |
◊ |
[ADP]A:500 |
x,y,z |
1_555 |
4 |
1 |
553 |
36.2 |
1.3 |
0.843 |
1 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[ADP]A:500 |
4 |
1 |
553 |
f |
[MG]A:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.035 |
23 |
|
[ADP]B:500 |
4 |
1 |
558 |
f |
[MG]B:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
31.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.035 |
| 20 |
24 |
|
B |
2 |
1 |
16471 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
1 |
16471 |
19.2 |
0.9 |
0.890 |
0 |
1 |
0 |
0.000 |
| 21 |
25 |
|
A |
2 |
1 |
16596 |
◊ |
B |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
16471 |
13.6 |
-0.4 |
0.201 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[EDO]A:503 |
2 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
16471 |
5.7 |
0.2 |
0.847 |
0 |
0 |
0 |
0.000 |
|