| ## |
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 |
153 |
43 |
14232 |
◊ |
A |
x,y,z |
1_555 |
158 |
45 |
14358 |
1461.1 |
-23.4 |
0.010 |
16 |
0 |
0 |
0.165 |
| 2 |
2 |
|
B |
91 |
26 |
14232 |
◊ |
A |
x,-y+1,-z |
4_565 |
88 |
27 |
14358 |
903.0 |
-9.6 |
0.153 |
3 |
0 |
0 |
0.006 |
| 3 |
3 |
|
A |
57 |
13 |
14358 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
57 |
13 |
14358 |
522.3 |
1.2 |
0.770 |
6 |
10 |
0 |
0.000 |
| 4 |
4 |
|
[ATP]B:313 |
31 |
1 |
610 |
f |
B |
x,y,z |
1_555 |
61 |
23 |
14232 |
388.9 |
-3.7 |
0.438 |
9 |
0 |
0 |
0.084 |
5 |
|
[ATP]A:313 |
31 |
1 |
610 |
f |
A |
x,y,z |
1_555 |
57 |
24 |
14358 |
386.2 |
-3.7 |
0.422 |
9 |
0 |
0 |
0.084 |
| Average: |
387.5 |
-3.7 |
0.430 |
9 |
0 |
0 |
0.084 |
| 5 |
6 |
|
B |
31 |
10 |
14232 |
◊ |
B |
x,-y,-z |
4_555 |
31 |
10 |
14232 |
281.5 |
1.6 |
0.819 |
6 |
2 |
0 |
0.000 |
| 6 |
7 |
|
[ATP]B:312 |
25 |
1 |
609 |
◊ |
B |
x,y,z |
1_555 |
25 |
7 |
14232 |
194.2 |
-2.0 |
0.456 |
3 |
0 |
0 |
0.036 |
8 |
|
[ATP]A:314 |
23 |
1 |
606 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
14358 |
188.3 |
-1.9 |
0.436 |
3 |
0 |
0 |
0.036 |
| Average: |
191.2 |
-2.0 |
0.446 |
3 |
0 |
0 |
0.036 |
| 7 |
9 |
|
B |
15 |
6 |
14232 |
◊ |
B |
x,-y+1,-z |
4_565 |
15 |
6 |
14232 |
150.5 |
0.8 |
0.759 |
2 |
0 |
0 |
0.000 |
10 |
|
A |
18 |
6 |
14358 |
◊ |
A |
x,-y+1,-z |
4_565 |
18 |
6 |
14358 |
139.8 |
0.5 |
0.702 |
2 |
0 |
0 |
0.000 |
| Average: |
145.1 |
0.7 |
0.730 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
17 |
7 |
14358 |
◊ |
B |
x-1,-y+1,-z |
4_465 |
20 |
7 |
14232 |
134.4 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
B |
14 |
7 |
14232 |
x |
B |
x-1,y,z |
1_455 |
14 |
7 |
14232 |
118.2 |
2.7 |
0.919 |
0 |
2 |
0 |
0.000 |
13 |
|
A |
14 |
7 |
14358 |
x |
A |
x-1,y,z |
1_455 |
11 |
5 |
14358 |
97.0 |
1.9 |
0.857 |
0 |
1 |
0 |
0.000 |
| Average: |
107.6 |
2.3 |
0.888 |
0 |
2 |
0 |
0.000 |
| 10 |
14 |
|
[CS]A:315 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
14358 |
109.1 |
-43.3 |
0.000 |
0 |
0 |
0 |
0.469 |
15 |
|
[CS]B:315 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
14232 |
108.9 |
-43.3 |
0.000 |
0 |
0 |
0 |
0.469 |
| Average: |
109.0 |
-43.3 |
0.000 |
0 |
0 |
0 |
0.469 |
| 11 |
16 |
|
[ATP]A:314 |
14 |
1 |
606 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14232 |
97.1 |
-0.4 |
0.651 |
3 |
0 |
0 |
0.021 |
17 |
|
[ATP]B:312 |
11 |
1 |
609 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14358 |
89.3 |
-1.2 |
0.544 |
2 |
0 |
0 |
0.021 |
| Average: |
93.2 |
-0.8 |
0.598 |
3 |
0 |
0 |
0.021 |
| 12 |
18 |
|
B |
9 |
3 |
14232 |
◊ |
A |
x,y-1,z |
1_545 |
11 |
5 |
14358 |
91.6 |
2.5 |
0.903 |
4 |
3 |
0 |
0.000 |
| 13 |
19 |
|
[ATP]B:312 |
5 |
1 |
609 |
f |
[ATP]A:313 |
x,y,z |
1_555 |
7 |
1 |
610 |
43.7 |
-1.0 |
0.470 |
0 |
0 |
0 |
0.010 |
20 |
|
[ATP]B:313 |
6 |
1 |
610 |
f |
[ATP]A:314 |
x,y,z |
1_555 |
4 |
1 |
606 |
42.5 |
-0.9 |
0.463 |
0 |
0 |
0 |
0.010 |
| Average: |
43.1 |
-0.9 |
0.467 |
0 |
0 |
0 |
0.010 |
| 14 |
21 |
|
[ATP]B:312 |
3 |
1 |
609 |
◊ |
B |
x,-y+1,-z |
4_565 |
4 |
2 |
14232 |
41.5 |
1.0 |
0.758 |
1 |
0 |
0 |
0.000 |
22 |
|
[ATP]A:314 |
3 |
1 |
606 |
◊ |
A |
x,-y+1,-z |
4_565 |
4 |
2 |
14358 |
38.9 |
1.2 |
0.798 |
0 |
0 |
0 |
0.000 |
| Average: |
40.2 |
1.1 |
0.778 |
1 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[MG]B:311 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14232 |
39.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.042 |
24 |
|
[MG]A:310 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14358 |
37.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
38.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.042 |
| 16 |
25 |
|
[ATP]B:313 |
4 |
1 |
610 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14358 |
38.4 |
0.8 |
0.755 |
1 |
0 |
0 |
0.000 |
26 |
|
[ATP]A:313 |
5 |
1 |
610 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14232 |
38.0 |
0.8 |
0.751 |
1 |
0 |
0 |
0.000 |
| Average: |
38.2 |
0.8 |
0.753 |
1 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[MG]B:311 |
1 |
1 |
98 |
f |
[ATP]B:313 |
x,y,z |
1_555 |
4 |
1 |
610 |
32.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.089 |
28 |
|
[MG]A:310 |
1 |
1 |
98 |
f |
[ATP]A:313 |
x,y,z |
1_555 |
4 |
1 |
610 |
31.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.089 |
29 |
|
[MG]A:311 |
1 |
1 |
98 |
f |
[ATP]B:312 |
x,y,z |
1_555 |
4 |
1 |
609 |
31.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.089 |
30 |
|
[MG]A:312 |
1 |
1 |
98 |
f |
[ATP]A:314 |
x,y,z |
1_555 |
3 |
1 |
606 |
30.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
31.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.089 |
| 18 |
31 |
|
[MG]A:311 |
1 |
1 |
98 |
f |
[ATP]A:313 |
x,y,z |
1_555 |
3 |
1 |
610 |
31.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.046 |
32 |
|
[MG]A:312 |
1 |
1 |
98 |
f |
[ATP]B:313 |
x,y,z |
1_555 |
3 |
1 |
610 |
31.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
31.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.046 |
| 19 |
33 |
|
[ATP]B:313 |
2 |
1 |
610 |
◊ |
A |
x,-y+1,-z |
4_565 |
1 |
1 |
14358 |
19.4 |
0.7 |
0.788 |
0 |
0 |
0 |
0.000 |
34 |
|
[ATP]A:313 |
2 |
1 |
610 |
◊ |
B |
x,-y+1,-z |
4_565 |
1 |
1 |
14232 |
19.4 |
0.7 |
0.787 |
0 |
0 |
0 |
0.000 |
| Average: |
19.4 |
0.7 |
0.788 |
0 |
0 |
0 |
0.000 |
| 20 |
35 |
|
[ATP]B:312 |
2 |
1 |
609 |
◊ |
A |
x,-y+1,-z |
4_565 |
1 |
1 |
14358 |
17.4 |
0.3 |
0.316 |
0 |
0 |
0 |
0.000 |
36 |
|
[ATP]A:314 |
1 |
1 |
606 |
◊ |
B |
x,-y+1,-z |
4_565 |
1 |
1 |
14232 |
12.6 |
0.2 |
0.379 |
0 |
0 |
0 |
0.000 |
| Average: |
15.0 |
0.3 |
0.347 |
0 |
0 |
0 |
0.000 |
| 21 |
37 |
|
[MG]A:311 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14232 |
13.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.012 |
38 |
|
[MG]A:312 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14358 |
13.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
13.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 22 |
39 |
|
[MG]A:312 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
14232 |
13.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.012 |
40 |
|
[MG]A:311 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
14358 |
12.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
12.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| 23 |
41 |
|
[MG]A:310 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14232 |
11.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
42 |
|
[MG]B:311 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14358 |
10.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
10.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 24 |
43 |
|
[MG]A:310 |
1 |
1 |
98 |
f |
[ATP]B:312 |
x,y,z |
1_555 |
2 |
1 |
609 |
9.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
44 |
|
[MG]B:311 |
1 |
1 |
98 |
f |
[ATP]A:314 |
x,y,z |
1_555 |
2 |
1 |
606 |
7.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
8.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 25 |
45 |
|
[MG]A:311 |
1 |
1 |
98 |
f |
[MG]A:310 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| 26 |
46 |
|
[MG]B:311 |
1 |
1 |
98 |
f |
[MG]A:312 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
| 27 |
47 |
|
[ATP]B:312 |
1 |
1 |
609 |
◊ |
[ATP]A:314 |
x,-y+1,-z |
4_565 |
1 |
1 |
606 |
0.7 |
-0.1 |
0.295 |
0 |
0 |
0 |
0.000 |
|