| ## |
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 |
53 |
17 |
12404 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
54 |
18 |
12493 |
536.9 |
1.4 |
0.767 |
4 |
0 |
0 |
0.000 |
| 2 |
2 |
|
[KAN]A:1300 |
30 |
1 |
640 |
f |
A |
x,y,z |
1_555 |
57 |
18 |
12404 |
397.3 |
4.2 |
0.496 |
11 |
0 |
0 |
0.005 |
3 |
|
[KAN]B:2300 |
30 |
1 |
643 |
f |
B |
x,y,z |
1_555 |
57 |
18 |
12493 |
390.6 |
3.6 |
0.472 |
11 |
0 |
0 |
0.005 |
| Average: |
394.0 |
3.9 |
0.484 |
11 |
0 |
0 |
0.005 |
| 3 |
4 |
|
A |
30 |
7 |
12404 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
33 |
9 |
12404 |
328.5 |
-1.8 |
0.312 |
2 |
4 |
0 |
0.000 |
5 |
|
B |
35 |
9 |
12493 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
29 |
7 |
12493 |
327.2 |
-1.8 |
0.284 |
2 |
4 |
0 |
0.000 |
| Average: |
327.9 |
-1.8 |
0.298 |
2 |
4 |
0 |
0.000 |
| 4 |
6 |
|
B |
30 |
11 |
12493 |
◊ |
A |
x,y,z |
1_555 |
34 |
13 |
12404 |
292.5 |
0.2 |
0.596 |
3 |
2 |
0 |
0.000 |
| 5 |
7 |
|
A |
26 |
12 |
12404 |
x |
A |
x-1,y,z |
1_455 |
25 |
9 |
12404 |
203.8 |
1.6 |
0.710 |
1 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
18 |
8 |
12493 |
◊ |
A |
x,y,z-1 |
1_554 |
16 |
6 |
12404 |
132.0 |
1.1 |
0.760 |
2 |
2 |
0 |
0.000 |
9 |
|
A |
22 |
8 |
12404 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
6 |
12493 |
129.9 |
0.4 |
0.667 |
1 |
1 |
0 |
0.000 |
| Average: |
130.9 |
0.7 |
0.714 |
2 |
2 |
0 |
0.000 |
| 7 |
10 |
|
[ACT]A:1500 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
12404 |
111.2 |
-1.4 |
0.443 |
1 |
0 |
0 |
0.009 |
11 |
|
[ACT]B:2500 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
12493 |
108.7 |
-1.3 |
0.424 |
2 |
0 |
0 |
0.009 |
| Average: |
109.9 |
-1.3 |
0.434 |
2 |
0 |
0 |
0.009 |
| 8 |
12 |
|
[NA]B:2600 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12493 |
50.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.033 |
13 |
|
[NA]A:1600 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12404 |
48.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
49.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.033 |
| 9 |
14 |
|
[MG]B:400 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12493 |
46.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.028 |
15 |
|
[MG]A:400 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12404 |
46.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
46.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.028 |
| 10 |
16 |
|
B |
6 |
4 |
12493 |
x |
B |
x-1,y,z |
1_455 |
3 |
2 |
12493 |
43.5 |
-2.1 |
0.035 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[KAN]A:1300 |
4 |
1 |
640 |
f |
[NA]A:1600 |
x,y,z |
1_555 |
1 |
1 |
125 |
41.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.017 |
18 |
|
[KAN]B:2300 |
4 |
1 |
643 |
f |
[NA]B:2600 |
x,y,z |
1_555 |
1 |
1 |
125 |
37.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
39.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 12 |
19 |
|
A |
5 |
1 |
12404 |
◊ |
[ACT]B:2500 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
183 |
37.7 |
-0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
20 |
|
[ACT]A:1500 |
3 |
1 |
184 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
12493 |
34.1 |
0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
| Average: |
35.9 |
-0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[NA]A:1600 |
1 |
1 |
125 |
f |
[MG]A:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.011 |
| 14 |
22 |
|
[KAN]A:1300 |
1 |
1 |
640 |
f |
[MG]A:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
23 |
|
[KAN]B:2300 |
1 |
1 |
643 |
f |
[MG]B:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
8.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
| 15 |
24 |
|
[NA]B:2600 |
1 |
1 |
125 |
f |
[MG]B:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
|