## |
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 |
228 |
68 |
20121 |
◊ |
A |
x,y,z |
1_555 |
235 |
70 |
19958 |
2376.4 |
-20.9 |
0.029 |
27 |
19 |
0 |
0.462 |
2 |
|
C |
220 |
64 |
19828 |
◊ |
C |
-x-1,y,-z-1/2 |
3_454 |
219 |
64 |
19828 |
2294.5 |
-24.7 |
0.007 |
26 |
12 |
0 |
0.462 |
Average: |
2335.4 |
-22.8 |
0.018 |
27 |
16 |
0 |
0.462 |
2 |
3 |
|
C |
58 |
19 |
19828 |
◊ |
B |
x,-y,-z |
4_555 |
50 |
16 |
20121 |
519.6 |
3.2 |
0.798 |
6 |
8 |
0 |
0.000 |
3 |
4 |
|
C |
59 |
19 |
19828 |
◊ |
B |
x,y,z |
1_555 |
61 |
20 |
20121 |
516.5 |
7.4 |
0.944 |
2 |
6 |
0 |
0.000 |
4 |
5 |
|
C |
45 |
16 |
19828 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
44 |
13 |
19958 |
381.1 |
-3.1 |
0.216 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[ATP]C:441 |
30 |
1 |
577 |
f |
C |
x,y,z |
1_555 |
54 |
19 |
19828 |
369.5 |
2.1 |
0.774 |
9 |
0 |
0 |
0.046 |
7 |
|
[ATP]A:442 |
30 |
1 |
570 |
f |
A |
x,y,z |
1_555 |
52 |
17 |
19958 |
365.7 |
1.6 |
0.776 |
7 |
0 |
0 |
0.046 |
8 |
|
[ATP]B:442 |
30 |
1 |
582 |
f |
B |
x,y,z |
1_555 |
52 |
17 |
20121 |
365.3 |
1.9 |
0.750 |
8 |
0 |
0 |
0.046 |
Average: |
366.8 |
1.9 |
0.767 |
8 |
0 |
0 |
0.046 |
6 |
9 |
|
C |
29 |
11 |
19828 |
◊ |
A |
x,y,z |
1_555 |
23 |
5 |
19958 |
235.3 |
3.9 |
0.895 |
6 |
5 |
0 |
0.000 |
10 |
|
B |
20 |
5 |
20121 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
29 |
10 |
19958 |
230.8 |
4.3 |
0.909 |
7 |
7 |
0 |
0.000 |
11 |
|
C |
24 |
6 |
19828 |
◊ |
B |
-x-1,y,-z-1/2 |
3_454 |
27 |
11 |
20121 |
230.1 |
3.6 |
0.842 |
6 |
4 |
0 |
0.000 |
Average: |
232.1 |
3.9 |
0.882 |
6 |
5 |
0 |
0.000 |
7 |
12 |
|
A |
27 |
11 |
19958 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
28 |
11 |
19958 |
216.8 |
3.4 |
0.882 |
2 |
4 |
0 |
0.000 |
8 |
13 |
|
[MG]C:440 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
19828 |
43.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.099 |
14 |
|
[MG]B:441 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
20121 |
42.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.099 |
15 |
|
[MG]A:441 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
19958 |
41.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
42.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.099 |
9 |
16 |
|
[ATP]A:442 |
6 |
1 |
570 |
f |
[MG]A:441 |
x,y,z |
1_555 |
1 |
1 |
98 |
39.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.131 |
17 |
|
[ATP]C:441 |
5 |
1 |
577 |
f |
[MG]C:440 |
x,y,z |
1_555 |
1 |
1 |
98 |
39.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.131 |
18 |
|
[ATP]B:442 |
4 |
1 |
582 |
f |
[MG]B:441 |
x,y,z |
1_555 |
1 |
1 |
98 |
39.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
39.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.131 |
10 |
19 |
|
[ATP]B:442 |
5 |
1 |
582 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
19828 |
37.8 |
1.4 |
0.782 |
1 |
0 |
0 |
0.000 |
20 |
|
[ATP]C:441 |
3 |
1 |
577 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
20121 |
31.6 |
0.9 |
0.712 |
1 |
0 |
0 |
0.000 |
Average: |
34.7 |
1.1 |
0.747 |
1 |
0 |
0 |
0.000 |
11 |
21 |
|
[ATP]C:441 |
5 |
1 |
577 |
f |
[MG]C:439 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.146 |
22 |
|
[ATP]B:442 |
5 |
1 |
582 |
f |
[MG]B:439 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.146 |
23 |
|
[ATP]A:442 |
6 |
1 |
570 |
f |
[MG]A:439 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.146 |
Average: |
34.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.146 |
12 |
24 |
|
[MG]C:439 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
19828 |
37.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.126 |
25 |
|
[MG]A:440 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
19958 |
33.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.126 |
26 |
|
[MG]B:439 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20121 |
33.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.126 |
27 |
|
[MG]A:439 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
19958 |
33.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.126 |
Average: |
34.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.126 |
13 |
28 |
|
[ATP]A:442 |
6 |
1 |
570 |
f |
[MG]A:440 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.082 |
29 |
|
[ATP]B:442 |
5 |
1 |
582 |
f |
[MG]B:440 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
30.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.082 |
14 |
30 |
|
[MG]B:440 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
20121 |
27.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.030 |
15 |
31 |
|
[MG]B:440 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
19828 |
21.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
32 |
|
[MG]A:440 |
1 |
1 |
98 |
f |
[MG]A:439 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.039 |
17 |
33 |
|
[MG]B:440 |
1 |
1 |
98 |
f |
[MG]B:439 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.030 |
18 |
34 |
|
[ATP]A:442 |
1 |
1 |
570 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
1 |
1 |
19958 |
1.7 |
0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
C |
1 |
1 |
19828 |
◊ |
C |
x,-y,-z |
4_555 |
1 |
1 |
19828 |
1.1 |
0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
|