| ## |
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 |
|
A |
44 |
15 |
7115 |
◊ |
B |
x-1,y,z |
1_455 |
51 |
18 |
6743 |
434.5 |
-0.6 |
0.683 |
1 |
0 |
0 |
0.000 |
| 2 |
2 |
|
[AMP]A:701 |
23 |
1 |
472 |
f |
A |
x,y,z |
1_555 |
37 |
13 |
7115 |
306.0 |
-3.2 |
0.455 |
5 |
0 |
0 |
0.009 |
| 3 |
3 |
|
A |
26 |
10 |
7115 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
23 |
7 |
6743 |
251.1 |
1.0 |
0.736 |
4 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
29 |
10 |
6743 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
7115 |
240.5 |
-1.9 |
0.486 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
21 |
8 |
7115 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
19 |
6 |
6743 |
174.3 |
-3.9 |
0.139 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
16 |
7 |
6743 |
x |
B |
-x+2,y-1/2,-z |
2_745 |
19 |
6 |
6743 |
134.8 |
-1.0 |
0.544 |
1 |
0 |
0 |
0.000 |
| 7 |
7 |
|
A |
14 |
4 |
7115 |
◊ |
B |
x,y-1,z |
1_545 |
14 |
4 |
6743 |
109.2 |
-0.7 |
0.495 |
2 |
0 |
0 |
0.000 |
| 8 |
8 |
|
B |
11 |
3 |
6743 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
10 |
4 |
7115 |
107.9 |
-1.0 |
0.433 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[PO4]B:401 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
6743 |
79.1 |
-4.3 |
0.746 |
1 |
0 |
0 |
0.009 |
| 10 |
10 |
|
[PO4]A:402 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
7115 |
76.8 |
-4.1 |
0.734 |
1 |
0 |
0 |
0.007 |
| 11 |
11 |
|
A |
6 |
1 |
7115 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
7115 |
46.6 |
-0.5 |
0.423 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
7115 |
42.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 13 |
13 |
|
A |
6 |
2 |
7115 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
5 |
3 |
7115 |
42.6 |
0.5 |
0.739 |
0 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
6743 |
40.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.010 |
15 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7115 |
37.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
39.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.010 |
| 15 |
16 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
7115 |
31.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.007 |
17 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
6743 |
31.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
31.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| 16 |
18 |
|
[OH]A:506 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
7115 |
30.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.003 |
19 |
|
[OH]B:605 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
6743 |
28.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
29.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.003 |
| 17 |
20 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7115 |
28.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.005 |
21 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6743 |
26.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
27.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.005 |
| 18 |
22 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7115 |
26.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.007 |
23 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
6743 |
25.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
25.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| 19 |
24 |
|
[MG]A:501 |
1 |
1 |
98 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
6743 |
24.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
[PO4]A:402 |
x,y,z |
1_555 |
4 |
1 |
187 |
22.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.005 |
| 21 |
26 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
[PO4]B:401 |
x,y,z |
1_555 |
4 |
1 |
188 |
21.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 22 |
27 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[PO4]A:402 |
x,y,z |
1_555 |
3 |
1 |
187 |
21.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.006 |
28 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
[PO4]B:401 |
x,y,z |
1_555 |
4 |
1 |
188 |
20.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
21.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 23 |
29 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
[PO4]B:401 |
x,y,z |
1_555 |
3 |
1 |
188 |
21.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.011 |
30 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
[PO4]A:402 |
x,y,z |
1_555 |
4 |
1 |
187 |
20.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.011 |
31 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
[PO4]B:401 |
x,y,z |
1_555 |
4 |
1 |
188 |
18.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
20.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| 24 |
32 |
|
[OH]B:605 |
1 |
1 |
99 |
f |
[PO4]B:401 |
x,y,z |
1_555 |
4 |
1 |
188 |
18.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.003 |
| 25 |
33 |
|
[OH]A:506 |
1 |
1 |
99 |
f |
[PO4]A:402 |
x,y,z |
1_555 |
4 |
1 |
187 |
18.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.003 |
| 26 |
34 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
[PO4]A:402 |
x,y,z |
1_555 |
4 |
1 |
187 |
18.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.004 |
| 27 |
35 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
[OH]A:506 |
x,y,z |
1_555 |
1 |
1 |
99 |
17.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.004 |
| 28 |
36 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
[OH]B:605 |
x,y,z |
1_555 |
1 |
1 |
99 |
16.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.005 |
| 29 |
37 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
[OH]B:605 |
x,y,z |
1_555 |
1 |
1 |
99 |
15.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 30 |
38 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
[OH]A:506 |
x,y,z |
1_555 |
1 |
1 |
99 |
15.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 31 |
39 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
[OH]B:605 |
x,y,z |
1_555 |
1 |
1 |
99 |
14.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.004 |
| 32 |
40 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
[OH]A:506 |
x,y,z |
1_555 |
1 |
1 |
99 |
14.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| 33 |
41 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
[MG]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| 34 |
42 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 35 |
43 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
[MG]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 36 |
44 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
[MG]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 37 |
45 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
[MG]A:504 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.003 |
| 38 |
46 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.004 |
| 39 |
47 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
[MG]B:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.004 |
| 40 |
48 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
[MG]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.003 |
| 41 |
49 |
|
[AMP]A:701 |
1 |
1 |
472 |
f |
[PO4]A:402 |
x,y,z |
1_555 |
1 |
1 |
187 |
6.6 |
-0.7 |
0.417 |
0 |
0 |
0 |
0.001 |
| 42 |
50 |
|
B |
4 |
1 |
6743 |
x |
B |
x,y-1,z |
1_545 |
2 |
2 |
6743 |
5.9 |
-0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
| 43 |
51 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
[OH]B:605 |
x,y,z |
1_555 |
1 |
1 |
99 |
3.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.001 |
| 44 |
52 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[OH]A:506 |
x,y,z |
1_555 |
1 |
1 |
99 |
3.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
53 |
|
A |
1 |
1 |
7115 |
x |
A |
x,y-1,z |
1_545 |
2 |
1 |
7115 |
1.3 |
-0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
| 46 |
54 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
[MG]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 47 |
55 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 48 |
56 |
|
[MG]B:604 |
1 |
1 |
98 |
f |
[MG]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 49 |
57 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
[MG]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|