| ## |
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 |
85 |
25 |
11849 |
◊ |
A |
x,y,z |
1_555 |
85 |
25 |
12183 |
852.7 |
4.2 |
0.908 |
25 |
28 |
0 |
0.000 |
| 2 |
2 |
|
A |
79 |
19 |
12183 |
◊ |
B |
x,y-1,z+1 |
1_546 |
82 |
19 |
11849 |
797.6 |
-13.7 |
0.041 |
3 |
0 |
0 |
0.174 |
| 3 |
3 |
|
A |
65 |
19 |
12183 |
x |
A |
x-1,y,z |
1_455 |
53 |
13 |
12183 |
562.4 |
-1.2 |
0.506 |
8 |
0 |
0 |
0.000 |
4 |
|
B |
48 |
18 |
11849 |
x |
B |
x-1,y,z |
1_455 |
48 |
12 |
11849 |
429.5 |
-1.3 |
0.540 |
5 |
0 |
0 |
0.000 |
| Average: |
495.9 |
-1.3 |
0.523 |
7 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[ATP]A:510 |
31 |
1 |
606 |
f |
A |
x,y,z |
1_555 |
55 |
22 |
12183 |
403.8 |
-4.2 |
0.454 |
14 |
0 |
0 |
0.251 |
6 |
|
[ATP]B:520 |
31 |
1 |
602 |
f |
B |
x,y,z |
1_555 |
55 |
22 |
11849 |
403.0 |
-4.1 |
0.470 |
16 |
0 |
0 |
0.251 |
| Average: |
403.4 |
-4.2 |
0.462 |
15 |
0 |
0 |
0.251 |
| 5 |
7 |
|
[ATP]A:520 |
30 |
1 |
612 |
f |
A |
x,y,z |
1_555 |
56 |
23 |
12183 |
397.4 |
-1.7 |
0.586 |
11 |
0 |
0 |
0.152 |
8 |
|
[ATP]B:510 |
30 |
1 |
613 |
f |
B |
x,y,z |
1_555 |
54 |
22 |
11849 |
395.8 |
-1.7 |
0.597 |
11 |
0 |
0 |
0.152 |
| Average: |
396.6 |
-1.7 |
0.591 |
11 |
0 |
0 |
0.152 |
| 6 |
9 |
|
B |
21 |
8 |
11849 |
x |
B |
x,y-1,z |
1_545 |
18 |
7 |
11849 |
200.5 |
-1.4 |
0.448 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
17 |
7 |
12183 |
x |
A |
x-1,y+1,z |
1_465 |
15 |
6 |
12183 |
139.0 |
-2.2 |
0.240 |
0 |
0 |
0 |
0.000 |
| Average: |
169.7 |
-1.8 |
0.344 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
A |
21 |
7 |
12183 |
◊ |
B |
x-1,y,z+1 |
1_456 |
19 |
8 |
11849 |
180.9 |
-0.6 |
0.571 |
3 |
1 |
0 |
0.000 |
12 |
|
B |
21 |
8 |
11849 |
◊ |
A |
x,y,z-1 |
1_554 |
23 |
8 |
12183 |
172.3 |
-1.1 |
0.523 |
1 |
1 |
0 |
0.000 |
| Average: |
176.6 |
-0.9 |
0.547 |
2 |
1 |
0 |
0.000 |
| 8 |
13 |
|
B |
11 |
4 |
11849 |
◊ |
A |
x,y-1,z |
1_545 |
8 |
4 |
12183 |
102.9 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
14 |
|
A |
6 |
2 |
12183 |
◊ |
B |
x-1,y+1,z |
1_465 |
4 |
2 |
11849 |
38.3 |
0.5 |
0.767 |
1 |
1 |
0 |
0.000 |
| Average: |
70.6 |
0.3 |
0.701 |
1 |
1 |
0 |
0.000 |
| 9 |
15 |
|
[MG]B:521 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
11849 |
45.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.101 |
16 |
|
[MG]A:511 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
12183 |
44.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
44.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.101 |
| 10 |
17 |
|
[MG]A:521 |
1 |
1 |
98 |
f |
[ATP]A:520 |
x,y,z |
1_555 |
8 |
1 |
612 |
43.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.293 |
18 |
|
[MG]B:511 |
1 |
1 |
98 |
f |
[ATP]B:510 |
x,y,z |
1_555 |
8 |
1 |
613 |
43.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.293 |
19 |
|
[MG]B:521 |
1 |
1 |
98 |
f |
[ATP]B:520 |
x,y,z |
1_555 |
5 |
1 |
602 |
37.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.293 |
20 |
|
[MG]A:511 |
1 |
1 |
98 |
f |
[ATP]A:510 |
x,y,z |
1_555 |
5 |
1 |
606 |
36.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.293 |
| Average: |
40.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.293 |
| 11 |
21 |
|
[MG]A:521 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
12183 |
13.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.027 |
22 |
|
[MG]B:511 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
11849 |
12.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
12.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.027 |
| 12 |
23 |
|
A |
1 |
1 |
12183 |
◊ |
[ATP]A:520 |
x-1,y,z |
1_455 |
2 |
1 |
612 |
12.6 |
0.6 |
0.693 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
1 |
1 |
11849 |
◊ |
[ATP]B:510 |
x-1,y,z |
1_455 |
2 |
1 |
613 |
11.4 |
0.6 |
0.692 |
0 |
0 |
0 |
0.000 |
| Average: |
12.0 |
0.6 |
0.692 |
0 |
0 |
0 |
0.000 |
| 13 |
25 |
|
[ATP]A:510 |
4 |
1 |
606 |
◊ |
B |
x,y-1,z+1 |
1_546 |
2 |
2 |
11849 |
11.4 |
0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
1 |
1 |
12183 |
◊ |
[ATP]B:520 |
x,y-1,z+1 |
1_546 |
2 |
1 |
602 |
7.0 |
0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
| Average: |
9.2 |
0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
| 14 |
27 |
|
A |
4 |
2 |
12183 |
x |
A |
x,y-1,z |
1_545 |
1 |
1 |
12183 |
7.5 |
0.2 |
0.759 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
1 |
1 |
11849 |
x |
B |
x-1,y+1,z |
1_465 |
1 |
1 |
11849 |
1.1 |
0.0 |
0.714 |
0 |
0 |
0 |
0.000 |
| Average: |
4.3 |
0.1 |
0.737 |
0 |
0 |
0 |
0.000 |
| 15 |
29 |
|
A |
2 |
1 |
12183 |
◊ |
B |
x-1,y-1,z+1 |
1_446 |
2 |
1 |
11849 |
4.6 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
| 16 |
30 |
|
[MG]A:511 |
1 |
1 |
98 |
◊ |
B |
x,y-1,z+1 |
1_546 |
1 |
1 |
11849 |
2.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
31 |
|
A |
1 |
1 |
12183 |
◊ |
[MG]B:521 |
x,y-1,z+1 |
1_546 |
1 |
1 |
98 |
1.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
1.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
|