| ## |
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 |
252 |
67 |
15521 |
◊ |
A |
x,y,z |
1_555 |
241 |
65 |
15475 |
2470.4 |
-36.8 |
0.017 |
30 |
8 |
0 |
0.283 |
| 2 |
2 |
|
B |
44 |
16 |
15521 |
◊ |
A |
-y+2,x,z-1/4 |
3_754 |
59 |
23 |
15475 |
501.9 |
-3.7 |
0.484 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
48 |
18 |
15521 |
◊ |
A |
-y+2,x-1,z-1/4 |
3_744 |
47 |
18 |
15475 |
428.8 |
-0.2 |
0.793 |
4 |
1 |
0 |
0.000 |
| Average: |
465.4 |
-2.0 |
0.639 |
4 |
1 |
0 |
0.000 |
| 3 |
4 |
|
[ADP]B:393 |
26 |
1 |
536 |
f |
B |
x,y,z |
1_555 |
36 |
19 |
15521 |
246.9 |
-4.1 |
0.613 |
3 |
0 |
0 |
0.067 |
5 |
|
[ADP]A:393 |
24 |
1 |
541 |
f |
A |
x,y,z |
1_555 |
35 |
16 |
15475 |
240.6 |
-4.9 |
0.526 |
4 |
0 |
0 |
0.067 |
| Average: |
243.7 |
-4.5 |
0.570 |
4 |
0 |
0 |
0.067 |
| 4 |
6 |
|
[ADP]A:393 |
15 |
1 |
541 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
15521 |
138.5 |
-0.1 |
0.750 |
2 |
0 |
0 |
0.016 |
7 |
|
[ADP]B:393 |
17 |
1 |
536 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
15475 |
137.1 |
-0.1 |
0.748 |
4 |
0 |
0 |
0.016 |
| Average: |
137.8 |
-0.1 |
0.749 |
3 |
0 |
0 |
0.016 |
| 5 |
8 |
|
[PO4]A:394 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
15475 |
82.5 |
-4.8 |
0.722 |
3 |
0 |
0 |
0.034 |
| 6 |
9 |
|
[PO4]B:394 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
15521 |
79.7 |
-4.4 |
0.793 |
5 |
0 |
0 |
0.037 |
| 7 |
10 |
|
[NA]A:398 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
15475 |
44.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.067 |
11 |
|
[NA]B:398 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
15521 |
44.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.067 |
| Average: |
44.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.067 |
| 8 |
12 |
|
A |
6 |
3 |
15475 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
15521 |
41.1 |
-0.3 |
0.549 |
0 |
0 |
0 |
0.000 |
13 |
|
B |
1 |
1 |
15521 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
15475 |
19.4 |
-0.5 |
0.176 |
0 |
0 |
0 |
0.000 |
| Average: |
30.2 |
-0.4 |
0.362 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[NA]A:398 |
1 |
1 |
125 |
f |
[ADP]A:393 |
x,y,z |
1_555 |
7 |
1 |
541 |
35.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.053 |
15 |
|
[NA]B:398 |
1 |
1 |
125 |
f |
[ADP]B:393 |
x,y,z |
1_555 |
7 |
1 |
536 |
29.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.053 |
| Average: |
32.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.053 |
| 10 |
16 |
|
[MG]A:395 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15475 |
34.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.100 |
17 |
|
[MG]B:395 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
15521 |
34.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.100 |
18 |
|
[MG]B:396 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15521 |
29.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.100 |
19 |
|
[MG]A:396 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15475 |
28.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
31.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.100 |
| 11 |
20 |
|
[PO4]A:394 |
4 |
1 |
189 |
f |
[ADP]A:393 |
x,y,z |
1_555 |
6 |
1 |
541 |
30.3 |
-3.0 |
0.590 |
0 |
0 |
0 |
0.017 |
| 12 |
21 |
|
[PO4]B:394 |
4 |
1 |
189 |
f |
[ADP]B:393 |
x,y,z |
1_555 |
6 |
1 |
536 |
29.9 |
-2.8 |
0.573 |
0 |
0 |
0 |
0.016 |
| 13 |
22 |
|
[MG]A:397 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15475 |
26.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.023 |
23 |
|
[MG]B:397 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
15521 |
25.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
26.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.023 |
| 14 |
24 |
|
[MG]A:397 |
1 |
1 |
98 |
f |
[ADP]A:393 |
x,y,z |
1_555 |
4 |
1 |
541 |
23.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.040 |
25 |
|
[MG]B:397 |
1 |
1 |
98 |
f |
[ADP]B:393 |
x,y,z |
1_555 |
5 |
1 |
536 |
23.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
23.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.040 |
| 15 |
26 |
|
[MG]B:395 |
1 |
1 |
98 |
f |
[ADP]B:393 |
x,y,z |
1_555 |
3 |
1 |
536 |
22.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.049 |
27 |
|
[MG]A:395 |
1 |
1 |
98 |
f |
[ADP]A:393 |
x,y,z |
1_555 |
4 |
1 |
541 |
21.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.049 |
28 |
|
[MG]B:396 |
1 |
1 |
98 |
f |
[ADP]B:393 |
x,y,z |
1_555 |
3 |
1 |
536 |
18.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.049 |
| Average: |
20.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.049 |
| 16 |
29 |
|
[PO4]B:394 |
3 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15475 |
21.9 |
-0.9 |
0.894 |
1 |
0 |
0 |
0.008 |
| 17 |
30 |
|
[PO4]A:394 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15521 |
21.4 |
-0.9 |
0.931 |
1 |
0 |
0 |
0.008 |
| 18 |
31 |
|
[MG]A:396 |
1 |
1 |
98 |
f |
[ADP]A:393 |
x,y,z |
1_555 |
4 |
1 |
541 |
20.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.016 |
| 19 |
32 |
|
[MG]B:397 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15475 |
18.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
33 |
|
[MG]A:397 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
15521 |
17.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
17.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.016 |
| 20 |
34 |
|
[MG]A:397 |
1 |
1 |
98 |
f |
[PO4]A:394 |
x,y,z |
1_555 |
3 |
1 |
189 |
18.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.015 |
| 21 |
35 |
|
[MG]B:396 |
1 |
1 |
98 |
f |
[PO4]B:394 |
x,y,z |
1_555 |
3 |
1 |
189 |
17.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.028 |
36 |
|
[MG]A:396 |
1 |
1 |
98 |
f |
[PO4]A:394 |
x,y,z |
1_555 |
3 |
1 |
189 |
17.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
17.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.028 |
| 22 |
37 |
|
[MG]B:397 |
1 |
1 |
98 |
f |
[PO4]B:394 |
x,y,z |
1_555 |
3 |
1 |
189 |
17.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.014 |
| 23 |
38 |
|
[MG]A:397 |
1 |
1 |
98 |
f |
[MG]A:396 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 24 |
39 |
|
[NA]A:398 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
15521 |
9.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.008 |
40 |
|
[NA]B:398 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15475 |
8.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
9.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| 25 |
41 |
|
[MG]B:397 |
1 |
1 |
98 |
f |
[MG]B:396 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.010 |
| 26 |
42 |
|
[MG]A:396 |
1 |
1 |
98 |
f |
[MG]A:395 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.010 |
| 27 |
43 |
|
[MG]B:396 |
1 |
1 |
98 |
f |
[MG]B:395 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.010 |
| 28 |
44 |
|
[NA]B:398 |
1 |
1 |
125 |
f |
[MG]B:396 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
| 29 |
45 |
|
[NA]B:398 |
1 |
1 |
125 |
f |
[MG]B:397 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 30 |
46 |
|
[NA]A:398 |
1 |
1 |
125 |
f |
[MG]A:396 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 31 |
47 |
|
[MG]B:395 |
1 |
1 |
98 |
f |
[PO4]B:394 |
x,y,z |
1_555 |
1 |
1 |
189 |
5.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
| 32 |
48 |
|
[NA]A:398 |
1 |
1 |
125 |
f |
[MG]A:395 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
| 33 |
49 |
|
[NA]A:398 |
1 |
1 |
125 |
f |
[MG]A:397 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| 34 |
50 |
|
[NA]B:398 |
1 |
1 |
125 |
f |
[MG]B:395 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| 35 |
51 |
|
[MG]A:396 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15521 |
3.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
52 |
|
[MG]B:396 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15475 |
3.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
3.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 36 |
53 |
|
[MG]A:395 |
1 |
1 |
98 |
f |
[PO4]A:394 |
x,y,z |
1_555 |
1 |
1 |
189 |
2.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
|