## |
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 |
317 |
84 |
24951 |
◊ |
A |
x,y,z |
1_555 |
312 |
82 |
24637 |
3234.4 |
-80.0 |
0.000 |
10 |
3 |
0 |
0.297 |
2 |
2 |
|
B |
42 |
14 |
24951 |
◊ |
A |
-x+2,y,-z |
2_755 |
40 |
14 |
24637 |
410.0 |
0.2 |
0.946 |
7 |
3 |
0 |
0.000 |
3 |
3 |
|
[1PG]A:1009 |
17 |
1 |
525 |
f |
A |
x,y,z |
1_555 |
32 |
13 |
24637 |
258.3 |
5.9 |
0.185 |
0 |
0 |
0 |
0.000 |
4 |
4 |
|
[1PG]B:1009 |
15 |
1 |
488 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
24951 |
226.5 |
2.2 |
0.124 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
[1PG]B:1011 |
16 |
1 |
536 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
24951 |
211.3 |
3.6 |
0.109 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
24 |
10 |
24637 |
◊ |
B |
-x+5/2,y-1/2,-z+1 |
4_746 |
24 |
5 |
24951 |
206.7 |
-0.0 |
0.869 |
3 |
1 |
0 |
0.000 |
7 |
7 |
|
A |
20 |
6 |
24637 |
x |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
22 |
8 |
24637 |
205.7 |
-0.1 |
0.817 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[1PG]A:1011 |
16 |
1 |
517 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
24637 |
199.6 |
2.0 |
0.096 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[1PG]A:1010 |
13 |
1 |
522 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
24637 |
156.6 |
2.5 |
0.121 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[1PG]B:1010 |
12 |
1 |
491 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
24951 |
149.8 |
-0.3 |
0.061 |
0 |
0 |
0 |
0.002 |
11 |
11 |
|
[1PG]A:1010 |
13 |
1 |
522 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
24951 |
142.4 |
1.6 |
0.073 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[K]A:1008 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
29 |
13 |
24637 |
118.4 |
-75.4 |
0.000 |
0 |
0 |
0 |
0.515 |
13 |
|
[K]B:1008 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
24951 |
115.3 |
-71.9 |
0.000 |
0 |
0 |
0 |
0.515 |
Average: |
116.8 |
-73.6 |
0.000 |
0 |
0 |
0 |
0.515 |
13 |
14 |
|
[1PG]B:1010 |
11 |
1 |
491 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
24637 |
117.2 |
0.4 |
0.058 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[PO4]B:1002 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
29 |
15 |
24951 |
80.3 |
-3.3 |
0.848 |
0 |
0 |
0 |
0.019 |
15 |
16 |
|
[PO4]A:1002 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
32 |
15 |
24637 |
79.0 |
-3.3 |
0.853 |
1 |
0 |
0 |
0.023 |
16 |
17 |
|
[PO4]B:1001 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
24951 |
69.0 |
-3.7 |
0.837 |
2 |
0 |
0 |
0.027 |
17 |
18 |
|
[PO4]A:1001 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
18 |
12 |
24637 |
67.0 |
-3.7 |
0.841 |
2 |
0 |
0 |
0.028 |
18 |
19 |
|
[1PG]B:1011 |
6 |
1 |
536 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
24637 |
57.3 |
0.1 |
0.132 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[MG]B:1004 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
24951 |
39.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.031 |
21 |
|
[MG]A:1004 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
24637 |
39.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
39.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.031 |
20 |
22 |
|
[1PG]B:1009 |
5 |
1 |
488 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
24637 |
38.3 |
0.4 |
0.173 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
[MG]B:1003 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
24951 |
36.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.035 |
24 |
|
[MG]A:1003 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
24637 |
34.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
35.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.035 |
22 |
25 |
|
[MG]B:1006 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
24951 |
31.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.026 |
26 |
|
[MG]A:1006 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
24637 |
30.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
30.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.026 |
23 |
27 |
|
[K]B:1008 |
1 |
1 |
216 |
f |
[PO4]B:1001 |
x,y,z |
1_555 |
4 |
1 |
188 |
30.3 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.106 |
24 |
28 |
|
[K]A:1008 |
1 |
1 |
216 |
f |
[PO4]A:1001 |
x,y,z |
1_555 |
4 |
1 |
189 |
30.1 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.118 |
25 |
29 |
|
[MG]B:1005 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
14 |
8 |
24951 |
29.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.027 |
30 |
|
[MG]A:1005 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
24637 |
28.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
28.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.027 |
26 |
31 |
|
[MG]A:1007 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
24637 |
28.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.021 |
32 |
|
[MG]B:1007 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
24951 |
28.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
28.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.021 |
27 |
33 |
|
[1PG]B:1011 |
2 |
1 |
536 |
f |
[1PG]A:1010 |
x,y,z |
1_555 |
2 |
1 |
522 |
28.4 |
1.1 |
0.211 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[1PG]A:1009 |
4 |
1 |
525 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
24951 |
25.9 |
0.4 |
0.156 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[PO4]B:1002 |
4 |
1 |
188 |
f |
[PO4]B:1001 |
x,y,z |
1_555 |
4 |
1 |
188 |
25.5 |
-2.4 |
0.973 |
0 |
0 |
0 |
0.014 |
30 |
36 |
|
[PO4]A:1002 |
4 |
1 |
187 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
4 |
1 |
189 |
24.9 |
-2.3 |
0.973 |
0 |
0 |
0 |
0.014 |
31 |
37 |
|
[K]B:1008 |
1 |
1 |
216 |
◊ |
[MG]B:1007 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.071 |
32 |
38 |
|
[K]A:1008 |
1 |
1 |
216 |
◊ |
[MG]A:1007 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.077 |
33 |
39 |
|
[MG]A:1004 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
4 |
1 |
187 |
20.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.052 |
40 |
|
[MG]B:1003 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
4 |
1 |
188 |
19.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.052 |
41 |
|
[MG]A:1005 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
3 |
1 |
189 |
17.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.052 |
42 |
|
[MG]B:1007 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
3 |
1 |
188 |
16.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.052 |
43 |
|
[MG]A:1006 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
4 |
1 |
187 |
16.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
18.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.052 |
34 |
44 |
|
[MG]A:1003 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
3 |
1 |
187 |
19.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.020 |
45 |
|
[MG]B:1007 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
3 |
1 |
188 |
14.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
17.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.020 |
35 |
46 |
|
[MG]B:1004 |
1 |
1 |
98 |
f |
[PO4]B:1002 |
x,y,z |
1_555 |
4 |
1 |
188 |
18.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.017 |
36 |
47 |
|
[MG]A:1007 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
3 |
1 |
189 |
17.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.028 |
48 |
|
[MG]B:1005 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
3 |
1 |
188 |
16.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.028 |
49 |
|
[MG]B:1006 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
3 |
1 |
188 |
15.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
16.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.028 |
37 |
50 |
|
[MG]B:1005 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
3 |
1 |
188 |
17.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.016 |
38 |
51 |
|
[MG]B:1006 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
3 |
1 |
188 |
16.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.015 |
39 |
52 |
|
[MG]A:1005 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
4 |
1 |
187 |
16.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.031 |
53 |
|
[MG]A:1006 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
3 |
1 |
189 |
15.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
16.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.031 |
40 |
54 |
|
[MG]A:1007 |
1 |
1 |
98 |
f |
[PO4]A:1002 |
x,y,z |
1_555 |
4 |
1 |
187 |
13.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.100 |
41 |
55 |
|
[MG]A:1006 |
1 |
1 |
98 |
◊ |
[MG]A:1004 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.015 |
42 |
56 |
|
[K]B:1008 |
1 |
1 |
216 |
f |
[PO4]B:1002 |
x,y,z |
1_555 |
3 |
1 |
188 |
11.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.039 |
43 |
57 |
|
[MG]A:1005 |
1 |
1 |
98 |
f |
[MG]A:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.068 |
44 |
58 |
|
[MG]B:1005 |
1 |
1 |
98 |
f |
[MG]B:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.057 |
45 |
59 |
|
[MG]B:1006 |
1 |
1 |
98 |
◊ |
[MG]B:1004 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.010 |
46 |
60 |
|
[MG]A:1004 |
1 |
1 |
98 |
f |
[PO4]A:1001 |
x,y,z |
1_555 |
3 |
1 |
189 |
7.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
47 |
61 |
|
[K]A:1008 |
1 |
1 |
216 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
4 |
1 |
187 |
7.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.029 |
48 |
62 |
|
[MG]B:1004 |
1 |
1 |
98 |
◊ |
[MG]B:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.006 |
49 |
63 |
|
[MG]B:1004 |
1 |
1 |
98 |
f |
[PO4]B:1001 |
x,y,z |
1_555 |
1 |
1 |
188 |
5.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
50 |
64 |
|
[MG]A:1006 |
1 |
1 |
98 |
f |
[MG]A:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.032 |
51 |
65 |
|
[K]B:1008 |
1 |
1 |
216 |
◊ |
[MG]B:1006 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.018 |
52 |
66 |
|
[MG]B:1006 |
1 |
1 |
98 |
f |
[MG]B:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.025 |
53 |
67 |
|
[MG]A:1007 |
1 |
1 |
98 |
◊ |
[MG]A:1004 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
54 |
68 |
|
[1PG]B:1011 |
2 |
1 |
536 |
f |
[1PG]A:1009 |
x,y,z |
1_555 |
1 |
1 |
525 |
2.8 |
0.2 |
0.201 |
0 |
0 |
0 |
0.000 |
55 |
69 |
|
[MG]A:1003 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
1 |
1 |
189 |
2.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
56 |
70 |
|
[MG]B:1003 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
1 |
1 |
188 |
2.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
57 |
71 |
|
[MG]B:1006 |
1 |
1 |
98 |
f |
[MG]B:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.010 |
58 |
72 |
|
[MG]A:1007 |
1 |
1 |
98 |
◊ |
[MG]A:1006 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
59 |
73 |
|
[MG]B:1007 |
1 |
1 |
98 |
f |
[MG]B:1006 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
60 |
74 |
|
[MG]B:1007 |
1 |
1 |
98 |
◊ |
[MG]B:1004 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
61 |
75 |
|
[MG]A:1007 |
1 |
1 |
98 |
◊ |
[MG]A:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
62 |
76 |
|
[MG]A:1004 |
1 |
1 |
98 |
◊ |
[MG]A:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
77 |
|
[K]A:1008 |
1 |
1 |
216 |
◊ |
[MG]A:1006 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
64 |
78 |
|
[MG]A:1006 |
1 |
1 |
98 |
f |
[MG]A:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|