| ## |
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 |
|
D |
86 |
27 |
6611 |
◊ |
C |
x,y,z |
1_555 |
97 |
29 |
7741 |
909.0 |
-7.8 |
0.259 |
14 |
10 |
0 |
0.446 |
2 |
|
F |
84 |
26 |
6444 |
◊ |
E |
x,y,z |
1_555 |
101 |
30 |
7433 |
890.9 |
-8.2 |
0.207 |
11 |
8 |
0 |
0.446 |
3 |
|
B |
88 |
27 |
6179 |
◊ |
A |
x,y,z |
1_555 |
96 |
29 |
7545 |
864.6 |
-9.2 |
0.144 |
9 |
10 |
0 |
0.446 |
| Average: |
888.1 |
-8.4 |
0.203 |
11 |
9 |
0 |
0.446 |
| 2 |
4 |
|
C |
85 |
21 |
7741 |
◊ |
A |
x,y,z |
1_555 |
83 |
20 |
7545 |
756.8 |
-4.8 |
0.455 |
21 |
0 |
0 |
0.269 |
5 |
|
E |
77 |
19 |
7433 |
◊ |
E |
x,-y,-z+1/2 |
6_555 |
77 |
19 |
7433 |
677.9 |
-7.0 |
0.324 |
16 |
0 |
0 |
0.269 |
| Average: |
717.3 |
-5.9 |
0.389 |
19 |
0 |
0 |
0.269 |
| 3 |
6 |
|
D |
45 |
11 |
6611 |
◊ |
B |
-y+1,x-1,z+1/4 |
3_645 |
51 |
13 |
6179 |
427.1 |
-2.0 |
0.484 |
4 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[ATP]E:202 |
31 |
1 |
596 |
f |
E |
x,y,z |
1_555 |
69 |
26 |
7433 |
406.0 |
-2.9 |
0.512 |
17 |
0 |
0 |
0.385 |
8 |
|
[ATP]A:200 |
31 |
1 |
590 |
f |
A |
x,y,z |
1_555 |
66 |
24 |
7545 |
401.4 |
-2.7 |
0.441 |
16 |
0 |
0 |
0.385 |
9 |
|
[ATP]C:201 |
31 |
1 |
585 |
f |
C |
x,y,z |
1_555 |
66 |
24 |
7741 |
399.9 |
-2.7 |
0.499 |
15 |
0 |
0 |
0.385 |
| Average: |
402.4 |
-2.8 |
0.484 |
16 |
0 |
0 |
0.385 |
| 5 |
10 |
|
C |
39 |
10 |
7741 |
◊ |
A |
-x+1,y,-z+1 |
5_656 |
56 |
16 |
7545 |
394.6 |
-0.9 |
0.637 |
2 |
2 |
0 |
0.000 |
| 6 |
11 |
|
F |
41 |
14 |
6444 |
◊ |
A |
x,y,z |
1_555 |
39 |
10 |
7545 |
350.6 |
-0.2 |
0.565 |
2 |
2 |
0 |
0.000 |
| 7 |
12 |
|
D |
39 |
10 |
6611 |
◊ |
E |
-x+1,y,-z+1 |
5_656 |
36 |
11 |
7433 |
329.8 |
-3.4 |
0.359 |
2 |
0 |
0 |
0.000 |
13 |
|
F |
37 |
10 |
6444 |
◊ |
C |
-x+1,y,-z+1 |
5_656 |
34 |
9 |
7741 |
300.0 |
-3.0 |
0.370 |
2 |
0 |
0 |
0.000 |
| Average: |
314.9 |
-3.2 |
0.364 |
2 |
0 |
0 |
0.000 |
| 8 |
14 |
|
E |
15 |
5 |
7433 |
◊ |
C |
-x+1,y,-z+1 |
5_656 |
18 |
5 |
7741 |
151.8 |
-2.4 |
0.273 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
A |
16 |
5 |
7545 |
◊ |
A |
-x+1,y,-z+1 |
5_656 |
17 |
5 |
7545 |
109.7 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
F |
11 |
4 |
6444 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
6179 |
89.4 |
0.3 |
0.655 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
B |
11 |
4 |
6179 |
◊ |
B |
y+1,x-1,-z+3/4 |
7_645 |
11 |
4 |
6179 |
74.6 |
-1.0 |
0.415 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
D |
5 |
2 |
6611 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
7545 |
60.1 |
0.0 |
0.618 |
0 |
0 |
0 |
0.014 |
19 |
|
F |
2 |
1 |
6444 |
◊ |
E |
x,-y,-z+1/2 |
6_555 |
3 |
1 |
7433 |
23.5 |
-0.6 |
0.157 |
0 |
0 |
0 |
0.014 |
| Average: |
41.8 |
-0.3 |
0.387 |
0 |
0 |
0 |
0.014 |
| 13 |
20 |
|
[MG]A:300 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
7545 |
40.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.200 |
21 |
|
[MG]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
7741 |
39.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.200 |
22 |
|
[MG]E:302 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
6 |
7433 |
37.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.200 |
| Average: |
39.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.200 |
| 14 |
23 |
|
[ATP]C:201 |
4 |
1 |
585 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
6611 |
33.7 |
0.1 |
0.441 |
0 |
0 |
0 |
0.000 |
24 |
|
[ATP]E:202 |
4 |
1 |
596 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
6444 |
32.5 |
0.1 |
0.437 |
0 |
0 |
0 |
0.000 |
25 |
|
[ATP]A:200 |
4 |
1 |
590 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
6179 |
32.4 |
0.0 |
0.382 |
0 |
0 |
0 |
0.000 |
| Average: |
32.9 |
0.1 |
0.420 |
0 |
0 |
0 |
0.000 |
| 15 |
26 |
|
[ATP]E:202 |
5 |
1 |
596 |
f |
[MG]E:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.166 |
27 |
|
[ATP]C:201 |
4 |
1 |
585 |
f |
[MG]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.166 |
28 |
|
[ATP]A:200 |
4 |
1 |
590 |
f |
[MG]A:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.166 |
| Average: |
31.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.166 |
| 16 |
29 |
|
F |
3 |
2 |
6444 |
◊ |
D |
-x+1,y,-z+1 |
5_656 |
3 |
1 |
6611 |
9.0 |
0.2 |
0.691 |
0 |
0 |
0 |
0.000 |
| 17 |
30 |
|
[MG]C:301 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6611 |
5.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.018 |
31 |
|
[MG]E:302 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6444 |
5.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.018 |
32 |
|
[MG]A:300 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6179 |
3.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
4.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.018 |
|