## |
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 |
142 |
39 |
12764 |
◊ |
C |
x,y,z |
1_555 |
149 |
42 |
12969 |
1350.0 |
-10.0 |
0.140 |
18 |
7 |
0 |
0.309 |
2 |
|
B |
146 |
40 |
12778 |
◊ |
A |
x,y,z |
1_555 |
153 |
39 |
12798 |
1344.7 |
-11.0 |
0.106 |
16 |
7 |
0 |
0.309 |
Average: |
1347.3 |
-10.5 |
0.123 |
17 |
7 |
0 |
0.309 |
2 |
3 |
|
A |
59 |
19 |
12798 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
54 |
15 |
12969 |
538.4 |
-2.1 |
0.396 |
7 |
2 |
0 |
0.000 |
3 |
4 |
|
A |
47 |
13 |
12798 |
◊ |
B |
x,y,z-1 |
1_554 |
41 |
14 |
12778 |
394.2 |
0.2 |
0.466 |
4 |
1 |
0 |
0.000 |
5 |
|
D |
44 |
15 |
12764 |
◊ |
C |
x-1,y,z-1 |
1_454 |
45 |
12 |
12969 |
377.1 |
-0.4 |
0.428 |
3 |
0 |
0 |
0.000 |
Average: |
385.7 |
-0.1 |
0.447 |
4 |
1 |
0 |
0.000 |
4 |
6 |
|
[ATP]D:3800 |
28 |
1 |
630 |
f |
D |
x,y,z |
1_555 |
41 |
16 |
12764 |
313.3 |
-2.5 |
0.447 |
13 |
0 |
0 |
0.285 |
7 |
|
[ATP]B:1800 |
27 |
1 |
628 |
f |
B |
x,y,z |
1_555 |
40 |
15 |
12778 |
311.0 |
-2.6 |
0.443 |
14 |
0 |
0 |
0.285 |
8 |
|
[ATP]C:2800 |
28 |
1 |
629 |
f |
C |
x,y,z |
1_555 |
39 |
16 |
12969 |
310.5 |
-2.5 |
0.467 |
15 |
0 |
0 |
0.285 |
9 |
|
[ATP]A:800 |
28 |
1 |
626 |
f |
A |
x,y,z |
1_555 |
40 |
16 |
12798 |
305.5 |
-2.9 |
0.417 |
14 |
0 |
0 |
0.285 |
Average: |
310.1 |
-2.6 |
0.444 |
14 |
0 |
0 |
0.285 |
5 |
10 |
|
B |
26 |
6 |
12778 |
◊ |
A |
x-1,y,z |
1_455 |
31 |
9 |
12798 |
258.7 |
-0.6 |
0.479 |
2 |
0 |
0 |
0.000 |
11 |
|
D |
25 |
6 |
12764 |
◊ |
C |
x-1,y,z |
1_455 |
31 |
9 |
12969 |
241.7 |
-0.8 |
0.459 |
2 |
0 |
0 |
0.000 |
Average: |
250.2 |
-0.7 |
0.469 |
2 |
0 |
0 |
0.000 |
6 |
12 |
|
A |
24 |
10 |
12798 |
◊ |
B |
x-1,y,z-1 |
1_454 |
31 |
10 |
12778 |
250.0 |
0.4 |
0.578 |
2 |
0 |
0 |
0.000 |
13 |
|
D |
28 |
10 |
12764 |
◊ |
C |
x,y,z-1 |
1_554 |
23 |
9 |
12969 |
236.8 |
0.1 |
0.563 |
1 |
0 |
0 |
0.000 |
Average: |
243.4 |
0.2 |
0.571 |
2 |
0 |
0 |
0.000 |
7 |
14 |
|
B |
29 |
8 |
12778 |
◊ |
C |
x-1,y,z |
1_455 |
33 |
8 |
12969 |
242.4 |
-1.7 |
0.356 |
4 |
3 |
0 |
0.000 |
15 |
|
D |
31 |
10 |
12764 |
◊ |
A |
x,y,z |
1_555 |
34 |
9 |
12798 |
239.8 |
-2.2 |
0.278 |
3 |
2 |
0 |
0.000 |
Average: |
241.1 |
-2.0 |
0.317 |
4 |
3 |
0 |
0.000 |
8 |
16 |
|
B |
30 |
9 |
12778 |
◊ |
D |
x-1,y,z |
1_455 |
24 |
9 |
12764 |
240.1 |
2.4 |
0.733 |
4 |
1 |
0 |
0.000 |
17 |
|
D |
23 |
9 |
12764 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
12778 |
208.7 |
1.8 |
0.702 |
4 |
0 |
0 |
0.000 |
Average: |
224.4 |
2.1 |
0.717 |
4 |
1 |
0 |
0.000 |
9 |
18 |
|
A |
18 |
8 |
12798 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
22 |
7 |
12969 |
190.8 |
4.3 |
0.914 |
1 |
2 |
0 |
0.000 |
10 |
19 |
|
[ATP]B:1800 |
21 |
1 |
628 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
12798 |
184.8 |
-0.5 |
0.511 |
6 |
0 |
0 |
0.083 |
20 |
|
[ATP]C:2800 |
21 |
1 |
629 |
◊ |
D |
x,y,z |
1_555 |
22 |
10 |
12764 |
182.3 |
-0.7 |
0.477 |
5 |
0 |
0 |
0.083 |
21 |
|
[ATP]A:800 |
21 |
1 |
626 |
◊ |
B |
x,y,z |
1_555 |
22 |
10 |
12778 |
180.1 |
-0.7 |
0.485 |
3 |
0 |
0 |
0.083 |
22 |
|
[ATP]D:3800 |
21 |
1 |
630 |
◊ |
C |
x,y,z |
1_555 |
22 |
10 |
12969 |
178.9 |
-0.4 |
0.512 |
3 |
0 |
0 |
0.083 |
Average: |
181.5 |
-0.6 |
0.496 |
4 |
0 |
0 |
0.083 |
11 |
23 |
|
B |
17 |
8 |
12778 |
x |
B |
x-1,y,z |
1_455 |
22 |
7 |
12778 |
183.2 |
1.0 |
0.649 |
1 |
0 |
0 |
0.000 |
24 |
|
D |
20 |
10 |
12764 |
x |
D |
x-1,y,z |
1_455 |
23 |
8 |
12764 |
160.4 |
1.1 |
0.676 |
2 |
0 |
0 |
0.000 |
Average: |
171.8 |
1.1 |
0.662 |
2 |
0 |
0 |
0.000 |
12 |
25 |
|
C |
4 |
1 |
12969 |
x |
C |
x-1,y,z |
1_455 |
6 |
2 |
12969 |
40.4 |
0.6 |
0.681 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
4 |
2 |
12798 |
x |
A |
x-1,y,z |
1_455 |
7 |
2 |
12798 |
34.3 |
0.6 |
0.694 |
0 |
0 |
0 |
0.000 |
Average: |
37.4 |
0.6 |
0.688 |
0 |
0 |
0 |
0.000 |
13 |
27 |
|
[ATP]A:800 |
3 |
1 |
626 |
f |
[MG]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.154 |
28 |
|
[ATP]D:3800 |
5 |
1 |
630 |
f |
[MG]D:3801 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.154 |
29 |
|
[ATP]C:2800 |
4 |
1 |
629 |
f |
[MG]C:2801 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.154 |
30 |
|
[ATP]B:1800 |
5 |
1 |
628 |
f |
[MG]B:1801 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.154 |
Average: |
35.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.154 |
14 |
31 |
|
[MG]C:2801 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12969 |
36.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.125 |
32 |
|
[MG]B:1801 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12778 |
35.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.125 |
33 |
|
[MG]D:3801 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
12764 |
32.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.125 |
34 |
|
[MG]A:801 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12798 |
31.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
34.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.125 |
15 |
35 |
|
[MG]A:801 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12778 |
17.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.054 |
36 |
|
[MG]D:3801 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
12969 |
16.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.054 |
37 |
|
[MG]C:2801 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
12764 |
15.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.054 |
38 |
|
[MG]B:1801 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
12798 |
15.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
16.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.054 |
16 |
39 |
|
C |
2 |
1 |
12969 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12778 |
9.8 |
0.4 |
0.758 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
2 |
1 |
12798 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
12764 |
9.0 |
0.4 |
0.781 |
0 |
0 |
0 |
0.000 |
Average: |
9.4 |
0.4 |
0.769 |
0 |
0 |
0 |
0.000 |
17 |
41 |
|
C |
1 |
1 |
12969 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
12764 |
2.5 |
0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
|