| ## |
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 |
211 |
51 |
13303 |
◊ |
B |
x,y,z |
1_555 |
217 |
53 |
13327 |
2048.6 |
-18.3 |
0.016 |
29 |
19 |
0 |
0.394 |
2 |
|
C |
220 |
51 |
13225 |
◊ |
A |
x,y,z |
1_555 |
215 |
53 |
13346 |
2039.3 |
-17.9 |
0.020 |
28 |
19 |
0 |
0.394 |
| Average: |
2044.0 |
-18.1 |
0.018 |
29 |
19 |
0 |
0.394 |
| 2 |
3 |
|
D |
36 |
12 |
13303 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
44 |
16 |
13225 |
363.8 |
4.5 |
0.835 |
6 |
3 |
0 |
0.000 |
4 |
|
C |
34 |
14 |
13225 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
36 |
11 |
13303 |
340.2 |
2.2 |
0.528 |
2 |
0 |
0 |
0.000 |
| Average: |
352.0 |
3.4 |
0.681 |
4 |
2 |
0 |
0.000 |
| 3 |
5 |
|
[ADP]C:286 |
26 |
1 |
572 |
f |
C |
x,y,z |
1_555 |
44 |
14 |
13225 |
323.3 |
-3.4 |
0.567 |
6 |
0 |
0 |
0.131 |
6 |
|
[ADP]B:288 |
27 |
1 |
573 |
f |
B |
x,y,z |
1_555 |
48 |
13 |
13327 |
320.3 |
-3.5 |
0.557 |
5 |
0 |
0 |
0.131 |
7 |
|
[ADP]A:288 |
26 |
1 |
569 |
f |
A |
x,y,z |
1_555 |
52 |
13 |
13346 |
319.2 |
-3.2 |
0.573 |
5 |
0 |
0 |
0.131 |
8 |
|
[ADP]D:288 |
26 |
1 |
567 |
f |
D |
x,y,z |
1_555 |
51 |
15 |
13303 |
313.5 |
-3.3 |
0.551 |
5 |
0 |
0 |
0.131 |
| Average: |
319.1 |
-3.4 |
0.562 |
5 |
0 |
0 |
0.131 |
| 4 |
9 |
|
D |
39 |
11 |
13303 |
◊ |
C |
x,y,z |
1_555 |
35 |
11 |
13225 |
320.0 |
0.9 |
0.552 |
7 |
0 |
0 |
0.000 |
| 5 |
10 |
|
A |
37 |
13 |
13346 |
◊ |
C |
x,y-1,z |
1_545 |
29 |
7 |
13225 |
289.6 |
0.5 |
0.565 |
7 |
3 |
0 |
0.000 |
11 |
|
B |
35 |
13 |
13327 |
◊ |
D |
x,y-1,z |
1_545 |
29 |
6 |
13303 |
272.2 |
0.5 |
0.557 |
7 |
4 |
0 |
0.000 |
| Average: |
280.9 |
0.5 |
0.561 |
7 |
4 |
0 |
0.000 |
| 6 |
12 |
|
A |
25 |
9 |
13346 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
28 |
14 |
13327 |
263.1 |
3.0 |
0.818 |
6 |
3 |
0 |
0.000 |
13 |
|
B |
23 |
8 |
13327 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
27 |
13 |
13346 |
253.6 |
2.6 |
0.793 |
6 |
3 |
0 |
0.000 |
| Average: |
258.4 |
2.8 |
0.805 |
6 |
3 |
0 |
0.000 |
| 7 |
14 |
|
A |
23 |
6 |
13346 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
11 |
13327 |
231.1 |
0.4 |
0.518 |
5 |
0 |
0 |
0.000 |
15 |
|
B |
22 |
8 |
13327 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
13346 |
217.6 |
0.7 |
0.552 |
4 |
0 |
0 |
0.000 |
| Average: |
224.3 |
0.5 |
0.535 |
5 |
0 |
0 |
0.000 |
| 8 |
16 |
|
[HSX]D:286 |
14 |
1 |
348 |
f |
D |
x,y,z |
1_555 |
38 |
16 |
13303 |
213.4 |
2.1 |
0.500 |
12 |
0 |
0 |
0.038 |
| 9 |
17 |
|
B |
15 |
6 |
13327 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
14 |
4 |
13303 |
142.2 |
2.5 |
0.804 |
3 |
4 |
0 |
0.000 |
18 |
|
A |
13 |
6 |
13346 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
10 |
4 |
13225 |
118.3 |
2.4 |
0.841 |
3 |
4 |
0 |
0.000 |
| Average: |
130.2 |
2.5 |
0.823 |
3 |
4 |
0 |
0.000 |
| 10 |
19 |
|
D |
13 |
4 |
13303 |
x |
D |
-x+2,y-1/2,-z+1 |
2_746 |
14 |
6 |
13303 |
134.0 |
-0.4 |
0.455 |
1 |
2 |
0 |
0.000 |
| 11 |
20 |
|
[PO4]C:287 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
24 |
12 |
13225 |
123.0 |
-9.3 |
0.511 |
12 |
0 |
0 |
0.150 |
| 12 |
21 |
|
[ADP]C:286 |
13 |
1 |
572 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
13346 |
121.9 |
0.5 |
0.480 |
2 |
0 |
0 |
0.006 |
22 |
|
[ADP]D:288 |
13 |
1 |
567 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
13327 |
120.0 |
0.5 |
0.497 |
2 |
0 |
0 |
0.006 |
23 |
|
[ADP]B:288 |
13 |
1 |
573 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
13303 |
117.8 |
0.7 |
0.476 |
2 |
0 |
0 |
0.006 |
| Average: |
119.9 |
0.6 |
0.484 |
2 |
0 |
0 |
0.006 |
| 13 |
24 |
|
[PO4]A:286 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
13346 |
121.8 |
-9.4 |
0.510 |
12 |
0 |
0 |
0.165 |
25 |
|
[PO4]B:286 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
13327 |
121.4 |
-9.3 |
0.510 |
11 |
0 |
0 |
0.165 |
| Average: |
121.6 |
-9.4 |
0.510 |
12 |
0 |
0 |
0.165 |
| 14 |
26 |
|
[ADP]A:288 |
13 |
1 |
569 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
13225 |
117.5 |
0.4 |
0.472 |
2 |
0 |
0 |
0.005 |
| 15 |
27 |
|
B |
10 |
3 |
13327 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
13 |
7 |
13225 |
116.6 |
1.7 |
0.801 |
3 |
6 |
0 |
0.000 |
| 16 |
28 |
|
B |
15 |
7 |
13327 |
x |
B |
-x+2,y-1/2,-z |
2_745 |
14 |
6 |
13327 |
107.6 |
2.3 |
0.822 |
1 |
0 |
0 |
0.000 |
29 |
|
A |
13 |
7 |
13346 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
11 |
6 |
13346 |
76.4 |
1.6 |
0.779 |
1 |
0 |
0 |
0.000 |
| Average: |
92.0 |
1.9 |
0.800 |
1 |
0 |
0 |
0.000 |
| 17 |
30 |
|
A |
7 |
2 |
13346 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
10 |
3 |
13303 |
77.7 |
2.1 |
0.864 |
2 |
4 |
0 |
0.000 |
| 18 |
31 |
|
[MG]A:287 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13346 |
43.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.097 |
32 |
|
[MG]B:287 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
13327 |
40.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.097 |
33 |
|
[MG]C:289 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
13225 |
40.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.097 |
34 |
|
[MG]D:287 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
13303 |
40.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.097 |
| Average: |
41.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.097 |
| 19 |
35 |
|
[HSX]D:286 |
6 |
1 |
348 |
f |
[ADP]D:288 |
x,y,z |
1_555 |
4 |
1 |
567 |
43.0 |
-1.5 |
0.327 |
0 |
0 |
0 |
0.017 |
| 20 |
36 |
|
C |
6 |
3 |
13225 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
1 |
13303 |
40.7 |
1.2 |
0.829 |
1 |
0 |
0 |
0.000 |
| 21 |
37 |
|
[ADP]B:288 |
5 |
1 |
573 |
f |
[MG]B:287 |
x,y,z |
1_555 |
1 |
1 |
98 |
39.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.140 |
38 |
|
[ADP]C:286 |
5 |
1 |
572 |
f |
[MG]C:289 |
x,y,z |
1_555 |
1 |
1 |
98 |
39.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.140 |
39 |
|
[ADP]A:288 |
3 |
1 |
569 |
f |
[MG]A:287 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.140 |
40 |
|
[ADP]D:288 |
4 |
1 |
567 |
f |
[MG]D:287 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.140 |
| Average: |
37.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.140 |
| 22 |
41 |
|
[HSX]D:286 |
1 |
1 |
348 |
f |
[MG]D:287 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.010 |
| 23 |
42 |
|
[PO4]C:287 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13346 |
4.2 |
-0.3 |
0.602 |
0 |
0 |
0 |
0.003 |
| 24 |
43 |
|
[HSX]D:286 |
1 |
1 |
348 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13327 |
3.4 |
-0.0 |
0.319 |
0 |
0 |
0 |
0.000 |
| 25 |
44 |
|
[ADP]C:286 |
1 |
1 |
572 |
f |
[PO4]C:287 |
x,y,z |
1_555 |
1 |
1 |
187 |
3.0 |
-0.3 |
0.487 |
0 |
0 |
0 |
0.003 |
| 26 |
45 |
|
[PO4]B:286 |
1 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
13303 |
2.0 |
-0.1 |
0.647 |
0 |
0 |
0 |
0.002 |
46 |
|
[PO4]A:286 |
1 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
13225 |
1.3 |
-0.1 |
0.660 |
0 |
0 |
0 |
0.002 |
| Average: |
1.7 |
-0.1 |
0.654 |
0 |
0 |
0 |
0.002 |
| 27 |
47 |
|
[ADP]D:288 |
1 |
1 |
567 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
13225 |
1.2 |
-0.1 |
0.423 |
0 |
0 |
0 |
0.000 |
| 28 |
48 |
|
[ADP]B:288 |
1 |
1 |
573 |
f |
[PO4]B:286 |
x,y,z |
1_555 |
1 |
1 |
188 |
1.0 |
-0.1 |
0.516 |
0 |
0 |
0 |
0.001 |
|