| ## |
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 |
83 |
24 |
12833 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
83 |
24 |
12833 |
804.7 |
-1.6 |
0.473 |
1 |
0 |
0 |
0.003 |
2 |
|
B |
80 |
23 |
12061 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
80 |
23 |
12061 |
750.5 |
-2.7 |
0.378 |
2 |
0 |
0 |
0.003 |
| Average: |
777.6 |
-2.1 |
0.425 |
2 |
0 |
0 |
0.003 |
| 2 |
3 |
|
B |
49 |
14 |
12061 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
12833 |
451.0 |
-5.9 |
0.075 |
0 |
0 |
0 |
0.061 |
| 3 |
4 |
|
A |
43 |
13 |
12833 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
52 |
17 |
12061 |
439.4 |
-2.8 |
0.311 |
2 |
2 |
0 |
0.000 |
| 4 |
5 |
|
[ADP]B:301 |
27 |
1 |
571 |
f |
B |
x,y,z |
1_555 |
60 |
25 |
12061 |
401.2 |
-5.9 |
0.480 |
7 |
0 |
0 |
0.093 |
| 5 |
6 |
|
[ADP]A:302 |
26 |
1 |
574 |
f |
A |
x,y,z |
1_555 |
59 |
24 |
12833 |
395.2 |
-6.5 |
0.485 |
7 |
0 |
0 |
0.099 |
| 6 |
7 |
|
B |
42 |
10 |
12061 |
◊ |
B |
-x,y,-z+1 |
2_556 |
43 |
10 |
12061 |
371.5 |
-0.5 |
0.506 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
43 |
12 |
12833 |
◊ |
A |
-x+1,y,-z |
2_655 |
44 |
12 |
12833 |
360.6 |
0.6 |
0.618 |
3 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[SF4]A:301 |
7 |
1 |
302 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
12061 |
123.3 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.125 |
| 9 |
10 |
|
[SF4]A:301 |
8 |
1 |
302 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
12833 |
122.4 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.125 |
| 10 |
11 |
|
B |
13 |
7 |
12061 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
11 |
4 |
12833 |
112.0 |
1.1 |
0.675 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[ACT]A:304 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
12833 |
106.4 |
0.4 |
0.726 |
3 |
0 |
0 |
0.010 |
| 12 |
13 |
|
[ACT]B:303 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
12061 |
105.6 |
-0.6 |
0.602 |
2 |
0 |
0 |
0.016 |
| 13 |
14 |
|
[ACT]A:305 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
12833 |
95.0 |
-0.7 |
0.549 |
1 |
0 |
0 |
0.012 |
| 14 |
15 |
|
[CL]A:306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
12833 |
71.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.118 |
| 15 |
16 |
|
[CL]A:307 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
12833 |
58.3 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.080 |
| 16 |
17 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
12833 |
56.7 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.143 |
18 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
12061 |
56.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.143 |
| Average: |
56.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.143 |
| 17 |
19 |
|
[NH4]B:304 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
12061 |
55.7 |
0.8 |
0.762 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[ACT]A:305 |
4 |
1 |
183 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
6 |
3 |
12833 |
46.8 |
0.5 |
0.736 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[CL]A:307 |
1 |
1 |
125 |
f |
[ADP]A:302 |
x,y,z |
1_555 |
6 |
1 |
574 |
42.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.042 |
| 20 |
22 |
|
[NH4]B:304 |
1 |
1 |
117 |
f |
[ADP]B:301 |
x,y,z |
1_555 |
6 |
1 |
571 |
39.5 |
1.3 |
0.888 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
[ADP]A:302 |
x,y,z |
1_555 |
4 |
1 |
574 |
30.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.098 |
24 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
[ADP]B:301 |
x,y,z |
1_555 |
4 |
1 |
571 |
30.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.098 |
| Average: |
30.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.098 |
| 22 |
25 |
|
[ACT]A:305 |
3 |
1 |
183 |
◊ |
[ACT]A:305 |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
183 |
29.1 |
0.5 |
0.875 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
B |
3 |
1 |
12061 |
◊ |
A |
-x,y,-z |
2_555 |
3 |
1 |
12833 |
18.5 |
0.4 |
0.745 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[ACT]A:304 |
1 |
1 |
183 |
◊ |
A |
-x+1,y,-z |
2_655 |
2 |
2 |
12833 |
5.9 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[ACT]A:304 |
1 |
1 |
183 |
◊ |
[ACT]A:304 |
-x+1,y,-z |
2_655 |
1 |
1 |
183 |
2.6 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
|