| ## |
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 |
104 |
30 |
10121 |
◊ |
A |
x,y,z |
1_555 |
100 |
29 |
10130 |
1144.6 |
-14.9 |
0.031 |
18 |
2 |
0 |
0.268 |
| 2 |
2 |
|
B |
45 |
13 |
10121 |
x |
B |
x-1,y,z |
1_455 |
40 |
13 |
10121 |
411.4 |
2.2 |
0.774 |
9 |
0 |
0 |
0.000 |
3 |
|
A |
15 |
3 |
10130 |
x |
A |
x-1,y,z |
1_455 |
28 |
11 |
10130 |
191.1 |
0.8 |
0.720 |
4 |
0 |
0 |
0.000 |
| Average: |
301.2 |
1.5 |
0.747 |
7 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
45 |
17 |
10130 |
◊ |
B |
x,y-1,z |
1_545 |
51 |
14 |
10121 |
384.3 |
0.1 |
0.660 |
5 |
3 |
0 |
0.000 |
| 4 |
5 |
|
A |
29 |
10 |
10130 |
◊ |
B |
x,y-1,z+1 |
1_546 |
31 |
10 |
10121 |
321.7 |
-3.5 |
0.234 |
4 |
7 |
0 |
0.000 |
| 5 |
6 |
|
[ADP]A:302 |
25 |
1 |
562 |
f |
A |
x,y,z |
1_555 |
43 |
15 |
10130 |
311.8 |
-4.4 |
0.602 |
13 |
0 |
0 |
0.237 |
7 |
|
[ADP]B:302 |
25 |
1 |
552 |
f |
B |
x,y,z |
1_555 |
41 |
15 |
10121 |
296.2 |
-4.6 |
0.597 |
13 |
0 |
0 |
0.237 |
| Average: |
304.0 |
-4.5 |
0.600 |
13 |
0 |
0 |
0.237 |
| 6 |
8 |
|
[TMP]A:301 |
21 |
1 |
471 |
f |
A |
x,y,z |
1_555 |
51 |
18 |
10130 |
310.6 |
-0.8 |
0.755 |
6 |
0 |
0 |
0.080 |
9 |
|
[TMP]B:301 |
20 |
1 |
471 |
f |
B |
x,y,z |
1_555 |
51 |
19 |
10121 |
309.9 |
-0.7 |
0.766 |
6 |
0 |
0 |
0.080 |
| Average: |
310.3 |
-0.8 |
0.761 |
6 |
0 |
0 |
0.080 |
| 7 |
10 |
|
B |
30 |
12 |
10121 |
◊ |
A |
x-1,y,z-1 |
1_454 |
39 |
15 |
10130 |
307.7 |
3.4 |
0.819 |
5 |
9 |
0 |
0.000 |
| 8 |
11 |
|
B |
38 |
13 |
10121 |
◊ |
A |
x,y,z-1 |
1_554 |
24 |
6 |
10130 |
242.7 |
0.8 |
0.736 |
3 |
0 |
0 |
0.000 |
| 9 |
12 |
|
B |
14 |
6 |
10121 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
12 |
5 |
10130 |
124.4 |
0.4 |
0.676 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[TRS]A:304 |
7 |
1 |
256 |
◊ |
B |
x,y-1,z+1 |
1_546 |
12 |
7 |
10121 |
111.0 |
2.8 |
0.132 |
2 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[TRS]A:304 |
6 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
10130 |
93.5 |
2.0 |
0.755 |
2 |
0 |
0 |
0.000 |
| 12 |
15 |
|
A |
9 |
3 |
10130 |
f |
[EDO]B:304 |
x,y-1,z |
1_545 |
4 |
1 |
183 |
77.0 |
2.8 |
0.316 |
1 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[SO4]A:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10130 |
76.0 |
-9.5 |
0.941 |
4 |
0 |
0 |
0.130 |
| 14 |
17 |
|
[EDO]B:304 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10121 |
52.3 |
1.9 |
0.968 |
2 |
0 |
0 |
0.000 |
| 15 |
18 |
|
A |
6 |
3 |
10130 |
◊ |
[ADP]B:302 |
x,y-1,z |
1_545 |
6 |
1 |
552 |
51.0 |
0.2 |
0.747 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
10130 |
37.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.101 |
20 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10121 |
35.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
36.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.101 |
| 17 |
21 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
[ADP]A:302 |
x,y,z |
1_555 |
4 |
1 |
562 |
31.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.112 |
22 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[ADP]B:302 |
x,y,z |
1_555 |
4 |
1 |
552 |
31.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.112 |
| Average: |
31.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.112 |
| 18 |
23 |
|
[SO4]A:305 |
3 |
1 |
184 |
f |
[EDO]B:304 |
x,y-1,z |
1_545 |
3 |
1 |
183 |
29.4 |
-2.2 |
0.996 |
0 |
0 |
0 |
0.026 |
| 19 |
24 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[TMP]B:301 |
x,y,z |
1_555 |
4 |
1 |
471 |
20.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.065 |
25 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
[TMP]A:301 |
x,y,z |
1_555 |
4 |
1 |
471 |
18.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
19.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.065 |
| 20 |
26 |
|
[ADP]B:302 |
3 |
1 |
552 |
f |
[TMP]B:301 |
x,y,z |
1_555 |
3 |
1 |
471 |
12.3 |
-1.2 |
0.502 |
0 |
0 |
0 |
0.022 |
27 |
|
[ADP]A:302 |
3 |
1 |
562 |
f |
[TMP]A:301 |
x,y,z |
1_555 |
2 |
1 |
471 |
7.4 |
-0.7 |
0.506 |
0 |
0 |
0 |
0.022 |
| Average: |
9.9 |
-0.9 |
0.504 |
0 |
0 |
0 |
0.022 |
| 21 |
28 |
|
B |
2 |
2 |
10121 |
◊ |
[ADP]A:302 |
x-1,y,z-1 |
1_454 |
2 |
1 |
562 |
7.5 |
-0.3 |
0.439 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
[EDO]B:304 |
1 |
1 |
183 |
◊ |
[TMP]B:301 |
x,y,z |
1_555 |
1 |
1 |
471 |
4.2 |
-0.2 |
0.632 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
A |
1 |
1 |
10130 |
◊ |
B |
x-1,y-1,z |
1_445 |
1 |
1 |
10121 |
1.6 |
0.1 |
0.795 |
0 |
0 |
0 |
0.000 |
|