| ## |
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 |
89 |
26 |
11689 |
◊ |
A |
x,y,z |
1_555 |
87 |
25 |
11616 |
875.8 |
-13.1 |
0.032 |
10 |
6 |
0 |
0.307 |
| 2 |
2 |
|
B |
74 |
21 |
11689 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
76 |
25 |
11689 |
738.6 |
-5.5 |
0.342 |
8 |
2 |
0 |
0.000 |
3 |
|
A |
75 |
25 |
11616 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
74 |
23 |
11616 |
692.1 |
-6.8 |
0.217 |
4 |
0 |
0 |
0.000 |
| Average: |
715.4 |
-6.1 |
0.280 |
6 |
1 |
0 |
0.000 |
| 3 |
4 |
|
[ADP]A:302 |
26 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
51 |
19 |
11616 |
399.2 |
-6.5 |
0.522 |
8 |
0 |
0 |
0.297 |
5 |
|
[ADP]B:302 |
26 |
1 |
550 |
f |
B |
x,y,z |
1_555 |
54 |
22 |
11689 |
385.1 |
-5.2 |
0.547 |
6 |
0 |
0 |
0.297 |
| Average: |
392.2 |
-5.8 |
0.535 |
7 |
0 |
0 |
0.297 |
| 4 |
6 |
|
[AIR]A:301 |
18 |
1 |
422 |
f |
A |
x,y,z |
1_555 |
39 |
14 |
11616 |
267.4 |
3.6 |
0.438 |
11 |
0 |
0 |
0.045 |
7 |
|
[AIR]B:301 |
19 |
1 |
427 |
f |
B |
x,y,z |
1_555 |
41 |
14 |
11689 |
261.4 |
3.0 |
0.392 |
10 |
0 |
0 |
0.045 |
| Average: |
264.4 |
3.3 |
0.415 |
11 |
0 |
0 |
0.045 |
| 5 |
8 |
|
A |
28 |
8 |
11616 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
28 |
9 |
11689 |
261.5 |
1.0 |
0.738 |
2 |
1 |
0 |
0.000 |
| 6 |
9 |
|
[144]A:308 |
7 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
11616 |
141.1 |
3.3 |
0.403 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[144]A:307 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
11616 |
130.8 |
2.6 |
0.317 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
B |
21 |
8 |
11689 |
x |
B |
x-1,y,z |
1_455 |
7 |
2 |
11689 |
115.0 |
0.2 |
0.685 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
A |
12 |
4 |
11616 |
x |
A |
-x,y-1/2,-z |
2_545 |
13 |
6 |
11616 |
96.2 |
0.4 |
0.687 |
1 |
1 |
0 |
0.000 |
| 10 |
13 |
|
[ACT]B:305 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11689 |
94.1 |
-0.9 |
0.580 |
1 |
0 |
0 |
0.022 |
| 11 |
14 |
|
[144]B:304 |
5 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
11616 |
90.8 |
3.2 |
0.417 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[144]B:304 |
5 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
11689 |
80.4 |
0.6 |
0.196 |
2 |
0 |
0 |
0.000 |
| 13 |
16 |
|
A |
13 |
3 |
11616 |
f |
[144]A:308 |
-x+1,y-1/2,-z |
2_645 |
5 |
1 |
258 |
69.9 |
1.5 |
0.294 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[144]A:304 |
5 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
11616 |
65.3 |
0.9 |
0.216 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[ACT]B:305 |
3 |
1 |
183 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
13 |
3 |
11689 |
56.3 |
-0.3 |
0.666 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
A |
6 |
2 |
11616 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
11689 |
51.0 |
0.9 |
0.838 |
1 |
0 |
0 |
0.000 |
20 |
|
A |
3 |
1 |
11616 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
11 |
4 |
11689 |
46.2 |
0.3 |
0.672 |
1 |
0 |
0 |
0.000 |
| Average: |
48.6 |
0.6 |
0.755 |
1 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
11616 |
48.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.165 |
22 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
11689 |
41.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.165 |
| Average: |
45.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.165 |
| 18 |
23 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
11689 |
43.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11616 |
41.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
42.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[ADP]B:302 |
x,y,z |
1_555 |
4 |
1 |
550 |
40.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.201 |
26 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
[ADP]A:302 |
x,y,z |
1_555 |
5 |
1 |
547 |
34.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.201 |
| Average: |
37.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.201 |
| 20 |
27 |
|
[CL]A:305 |
1 |
1 |
125 |
f |
[144]B:304 |
x,y,z |
1_555 |
3 |
1 |
259 |
19.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.024 |
| 21 |
28 |
|
A |
1 |
1 |
11616 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
11616 |
19.6 |
0.4 |
0.320 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
A |
1 |
1 |
11616 |
f |
[144]B:304 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
259 |
16.2 |
0.0 |
0.298 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
A |
1 |
1 |
11616 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11689 |
2.8 |
0.2 |
0.801 |
0 |
0 |
0 |
0.000 |
|