## |
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 |
314 |
84 |
24503 |
◊ |
A |
x,y,z |
1_555 |
313 |
82 |
24448 |
3249.4 |
-79.8 |
0.000 |
11 |
2 |
0 |
0.304 |
2 |
2 |
|
B |
44 |
14 |
24503 |
◊ |
A |
-x,y,-z |
2_555 |
43 |
14 |
24448 |
405.4 |
-0.4 |
0.923 |
8 |
4 |
0 |
0.000 |
3 |
3 |
|
[1PG]A:1009 |
15 |
1 |
529 |
◊ |
A |
x,y,z |
1_555 |
33 |
13 |
24448 |
234.1 |
4.7 |
0.239 |
1 |
0 |
0 |
0.000 |
4 |
4 |
|
[1PG]B:1009 |
16 |
1 |
530 |
◊ |
B |
x,y,z |
1_555 |
35 |
13 |
24503 |
233.3 |
3.1 |
0.111 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
23 |
8 |
24448 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
23 |
9 |
24448 |
220.8 |
0.6 |
0.880 |
1 |
1 |
0 |
0.000 |
6 |
6 |
|
A |
26 |
10 |
24448 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
26 |
6 |
24503 |
219.6 |
0.9 |
0.930 |
3 |
3 |
0 |
0.000 |
7 |
7 |
|
[1PG]A:1011 |
17 |
1 |
529 |
f |
A |
x,y,z |
1_555 |
30 |
10 |
24448 |
212.3 |
2.7 |
0.070 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[1PG]A:1012 |
17 |
1 |
519 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
24448 |
204.5 |
2.8 |
0.082 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[1PG]A:1010 |
11 |
1 |
530 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
24448 |
154.4 |
3.0 |
0.179 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[1PG]B:1010 |
12 |
1 |
524 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
24503 |
154.3 |
3.1 |
0.180 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[1PG]A:1010 |
15 |
1 |
530 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
24503 |
151.0 |
2.0 |
0.052 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[1PG]B:1010 |
14 |
1 |
524 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
24448 |
146.1 |
2.2 |
0.077 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[K]B:1008 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
29 |
12 |
24503 |
116.3 |
-72.7 |
0.000 |
0 |
0 |
0 |
0.520 |
14 |
|
[K]A:1008 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
24448 |
112.7 |
-72.4 |
0.000 |
0 |
0 |
0 |
0.520 |
Average: |
114.5 |
-72.6 |
0.000 |
0 |
0 |
0 |
0.520 |
14 |
15 |
|
[PO4]B:1002 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
29 |
15 |
24503 |
76.9 |
-3.2 |
0.847 |
1 |
0 |
0 |
0.021 |
15 |
16 |
|
[PO4]A:1002 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
29 |
15 |
24448 |
74.3 |
-3.4 |
0.847 |
1 |
0 |
0 |
0.023 |
16 |
17 |
|
[PO4]B:1001 |
5 |
1 |
191 |
f |
B |
x,y,z |
1_555 |
16 |
11 |
24503 |
66.6 |
-3.6 |
0.839 |
1 |
0 |
0 |
0.024 |
17 |
18 |
|
[PO4]A:1001 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
16 |
12 |
24448 |
65.9 |
-3.7 |
0.840 |
2 |
0 |
0 |
0.027 |
18 |
19 |
|
[MG]B:1004 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
24503 |
45.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.031 |
20 |
|
[MG]A:1004 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
24448 |
42.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
44.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.031 |
19 |
21 |
|
[1PG]A:1012 |
3 |
1 |
519 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
24448 |
38.3 |
0.9 |
0.379 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[MG]B:1003 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
11 |
7 |
24503 |
35.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.031 |
23 |
|
[MG]A:1003 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
24448 |
34.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
34.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.031 |
21 |
24 |
|
[MG]A:1006 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
24448 |
31.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.026 |
25 |
|
[MG]B:1006 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
24503 |
30.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
30.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.026 |
22 |
26 |
|
[MG]B:1007 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
24503 |
29.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.023 |
27 |
|
[MG]A:1007 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
24448 |
27.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
28.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.023 |
23 |
28 |
|
[K]B:1008 |
1 |
1 |
216 |
f |
[PO4]B:1001 |
x,y,z |
1_555 |
4 |
1 |
191 |
29.2 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.102 |
24 |
29 |
|
[MG]B:1005 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
14 |
9 |
24503 |
28.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.027 |
30 |
|
[MG]A:1005 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
13 |
8 |
24448 |
28.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
28.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.027 |
25 |
31 |
|
[K]A:1008 |
1 |
1 |
216 |
f |
[PO4]A:1001 |
x,y,z |
1_555 |
4 |
1 |
190 |
28.6 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.103 |
26 |
32 |
|
[PO4]B:1002 |
4 |
1 |
190 |
f |
[PO4]B:1001 |
x,y,z |
1_555 |
4 |
1 |
191 |
25.6 |
-2.5 |
0.973 |
0 |
0 |
0 |
0.014 |
27 |
33 |
|
[PO4]A:1002 |
4 |
1 |
188 |
f |
[PO4]A:1001 |
x,y,z |
1_555 |
4 |
1 |
190 |
25.4 |
-2.5 |
0.973 |
0 |
0 |
0 |
0.015 |
28 |
34 |
|
[K]A:1008 |
1 |
1 |
216 |
◊ |
[MG]A:1007 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.3 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.071 |
29 |
35 |
|
[K]B:1008 |
1 |
1 |
216 |
◊ |
[MG]B:1007 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.066 |
30 |
36 |
|
[MG]A:1003 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
4 |
1 |
188 |
19.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.048 |
37 |
|
[MG]B:1003 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
4 |
1 |
190 |
18.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.048 |
38 |
|
[MG]A:1005 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
3 |
1 |
188 |
16.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.048 |
39 |
|
[MG]B:1005 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
3 |
1 |
190 |
16.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.048 |
40 |
|
[MG]A:1006 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
3 |
1 |
190 |
16.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
17.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.048 |
31 |
41 |
|
[MG]A:1004 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
3 |
1 |
188 |
18.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.018 |
32 |
42 |
|
[MG]A:1007 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
3 |
1 |
190 |
17.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
43 |
|
[MG]B:1006 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
4 |
1 |
190 |
15.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.029 |
44 |
|
[MG]A:1007 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
3 |
1 |
188 |
15.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
16.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.029 |
33 |
45 |
|
[MG]B:1004 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
3 |
1 |
190 |
16.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.031 |
46 |
|
[MG]B:1005 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
1 |
1 |
191 |
16.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
16.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.031 |
34 |
47 |
|
[MG]B:1006 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
2 |
1 |
191 |
16.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.015 |
35 |
48 |
|
[1PG]A:1009 |
3 |
1 |
529 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
24503 |
16.3 |
0.5 |
0.299 |
0 |
0 |
0 |
0.000 |
36 |
49 |
|
[MG]B:1007 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
4 |
1 |
191 |
16.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.014 |
37 |
50 |
|
[MG]A:1005 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
2 |
1 |
190 |
16.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.028 |
51 |
|
[MG]A:1006 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
4 |
1 |
188 |
15.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
15.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.028 |
38 |
52 |
|
[MG]B:1007 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
2 |
1 |
190 |
15.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.014 |
39 |
53 |
|
[K]B:1008 |
1 |
1 |
216 |
f |
[PO4]B:1002 |
x,y,z |
1_555 |
2 |
1 |
190 |
12.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.045 |
40 |
54 |
|
[MG]A:1005 |
1 |
1 |
98 |
f |
[MG]A:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.040 |
41 |
55 |
|
[MG]B:1005 |
1 |
1 |
98 |
f |
[MG]B:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.041 |
42 |
56 |
|
[MG]B:1006 |
1 |
1 |
98 |
f |
[MG]B:1004 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.041 |
43 |
57 |
|
[K]A:1008 |
1 |
1 |
216 |
f |
[PO4]A:1002 |
x,y,z |
1_555 |
3 |
1 |
188 |
11.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.043 |
44 |
58 |
|
[MG]A:1006 |
1 |
1 |
98 |
f |
[MG]A:1004 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.032 |
45 |
59 |
|
[1PG]B:1009 |
2 |
1 |
530 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
24448 |
8.1 |
0.1 |
0.236 |
0 |
0 |
0 |
0.000 |
46 |
60 |
|
[K]A:1008 |
1 |
1 |
216 |
◊ |
[MG]A:1006 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.021 |
47 |
61 |
|
[K]B:1008 |
1 |
1 |
216 |
◊ |
[MG]B:1006 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.020 |
48 |
62 |
|
[MG]A:1003 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
1 |
1 |
190 |
4.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
63 |
|
[MG]B:1003 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
1 |
1 |
191 |
4.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
4.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
49 |
64 |
|
[MG]B:1004 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
1 |
1 |
191 |
4.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
50 |
65 |
|
[MG]A:1004 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
1 |
1 |
190 |
4.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
51 |
66 |
|
[MG]A:1004 |
1 |
1 |
98 |
f |
[MG]A:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
52 |
67 |
|
[MG]B:1006 |
1 |
1 |
98 |
f |
[MG]B:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
53 |
68 |
|
[MG]A:1007 |
1 |
1 |
98 |
f |
[MG]A:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
54 |
69 |
|
[MG]B:1007 |
1 |
1 |
98 |
f |
[MG]B:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
55 |
70 |
|
[MG]A:1006 |
1 |
1 |
98 |
f |
[MG]A:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
56 |
71 |
|
[MG]A:1007 |
1 |
1 |
98 |
f |
[MG]A:1006 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
57 |
72 |
|
[MG]B:1006 |
1 |
1 |
98 |
f |
[MG]B:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
58 |
73 |
|
[MG]A:1006 |
1 |
1 |
98 |
f |
[MG]A:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
59 |
74 |
|
[MG]B:1007 |
1 |
1 |
98 |
f |
[MG]B:1006 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|