## |
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 |
322 |
84 |
24544 |
◊ |
A |
x,y,z |
1_555 |
316 |
83 |
24702 |
3251.7 |
-79.0 |
0.000 |
11 |
2 |
0 |
0.300 |
2 |
2 |
|
B |
41 |
13 |
24544 |
◊ |
A |
-x+2,y,-z |
2_755 |
43 |
13 |
24702 |
409.8 |
-0.3 |
0.928 |
6 |
3 |
0 |
0.000 |
3 |
3 |
|
[1PG]A:1013 |
13 |
1 |
414 |
◊ |
A |
x,y,z |
1_555 |
37 |
15 |
24702 |
254.5 |
3.8 |
0.365 |
0 |
0 |
0 |
0.000 |
4 |
4 |
|
[1PG]B:1009 |
15 |
1 |
529 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
24544 |
227.3 |
2.3 |
0.108 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
[1PG]A:1009 |
14 |
1 |
522 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
24702 |
218.9 |
4.8 |
0.296 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
23 |
9 |
24702 |
◊ |
B |
-x+5/2,y-1/2,-z+1 |
4_746 |
25 |
6 |
24544 |
213.0 |
1.0 |
0.919 |
5 |
2 |
0 |
0.000 |
7 |
7 |
|
A |
20 |
7 |
24702 |
x |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
27 |
9 |
24702 |
207.9 |
-0.7 |
0.824 |
0 |
1 |
0 |
0.000 |
8 |
8 |
|
[1PG]A:1011 |
16 |
1 |
508 |
f |
A |
x,y,z |
1_555 |
28 |
8 |
24702 |
205.8 |
1.8 |
0.091 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[1PG]A:1012 |
15 |
1 |
502 |
◊ |
A |
x,y,z |
1_555 |
30 |
9 |
24702 |
202.4 |
3.6 |
0.185 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[1PG]A:1010 |
15 |
1 |
533 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
24544 |
158.8 |
2.2 |
0.066 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[1PG]A:1010 |
11 |
1 |
533 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
24702 |
148.5 |
3.0 |
0.179 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[1PG]B:1010 |
11 |
1 |
527 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
24544 |
145.2 |
0.2 |
0.078 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[1PG]B:1010 |
14 |
1 |
527 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
24702 |
141.2 |
1.4 |
0.051 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[K]B:1008 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
24544 |
114.5 |
-72.5 |
0.000 |
0 |
0 |
0 |
0.516 |
15 |
|
[K]A:1008 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
24702 |
110.3 |
-72.2 |
0.000 |
0 |
0 |
0 |
0.516 |
Average: |
112.4 |
-72.4 |
0.000 |
0 |
0 |
0 |
0.516 |
15 |
16 |
|
[PO4]B:1002 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
29 |
15 |
24544 |
77.6 |
-3.3 |
0.848 |
1 |
0 |
0 |
0.022 |
16 |
17 |
|
[PO4]A:1002 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
28 |
15 |
24702 |
76.2 |
-3.3 |
0.850 |
1 |
0 |
0 |
0.022 |
17 |
18 |
|
[PO4]B:1001 |
5 |
1 |
191 |
f |
B |
x,y,z |
1_555 |
16 |
12 |
24544 |
65.9 |
-3.6 |
0.841 |
2 |
0 |
0 |
0.026 |
18 |
19 |
|
[PO4]A:1001 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
18 |
12 |
24702 |
65.3 |
-3.6 |
0.841 |
2 |
0 |
0 |
0.027 |
19 |
20 |
|
[1PG]A:1013 |
5 |
1 |
414 |
f |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
6 |
1 |
24702 |
46.7 |
1.0 |
0.309 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[MG]B:1004 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
24544 |
44.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.061 |
22 |
|
[MG]A:1004 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
24702 |
43.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.061 |
23 |
|
[MG]B:1003 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
24544 |
35.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.061 |
24 |
|
[MG]A:1003 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
24702 |
35.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
39.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.061 |
21 |
25 |
|
[1PG]A:1012 |
3 |
1 |
502 |
f |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
6 |
2 |
24702 |
39.0 |
1.2 |
0.479 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[1PG]B:1009 |
5 |
1 |
529 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
24702 |
38.4 |
1.3 |
0.277 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[MG]B:1006 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
24544 |
30.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.024 |
28 |
|
[MG]A:1006 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
24702 |
29.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
30.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.024 |
24 |
29 |
|
[K]B:1008 |
1 |
1 |
216 |
f |
[PO4]B:1001 |
x,y,z |
1_555 |
4 |
1 |
191 |
29.3 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.101 |
25 |
30 |
|
[K]A:1008 |
1 |
1 |
216 |
f |
[PO4]A:1001 |
x,y,z |
1_555 |
4 |
1 |
190 |
29.0 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.103 |
26 |
31 |
|
[MG]A:1005 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
12 |
8 |
24702 |
28.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.026 |
32 |
|
[MG]B:1005 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
13 |
8 |
24544 |
27.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
27.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.026 |
27 |
33 |
|
[MG]B:1007 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
24544 |
28.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.022 |
34 |
|
[MG]A:1007 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
24702 |
27.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
28.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.022 |
28 |
35 |
|
[PO4]B:1002 |
4 |
1 |
189 |
f |
[PO4]B:1001 |
x,y,z |
1_555 |
4 |
1 |
191 |
24.8 |
-2.4 |
0.973 |
0 |
0 |
0 |
0.014 |
29 |
36 |
|
[PO4]A:1002 |
4 |
1 |
189 |
f |
[PO4]A:1001 |
x,y,z |
1_555 |
4 |
1 |
190 |
24.7 |
-2.4 |
0.973 |
0 |
0 |
0 |
0.014 |
30 |
37 |
|
[K]A:1008 |
1 |
1 |
216 |
◊ |
[MG]A:1007 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.8 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.069 |
31 |
38 |
|
[K]B:1008 |
1 |
1 |
216 |
◊ |
[MG]B:1007 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.066 |
32 |
39 |
|
[MG]A:1003 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
3 |
1 |
189 |
18.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.048 |
40 |
|
[MG]B:1003 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
4 |
1 |
189 |
18.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.048 |
41 |
|
[MG]A:1005 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
3 |
1 |
189 |
16.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.048 |
42 |
|
[MG]B:1005 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
1 |
1 |
191 |
16.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.048 |
43 |
|
[MG]A:1006 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
2 |
1 |
190 |
15.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
17.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.048 |
33 |
44 |
|
[MG]A:1004 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
3 |
1 |
189 |
18.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.033 |
45 |
|
[MG]B:1005 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
3 |
1 |
189 |
17.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.033 |
46 |
|
[MG]A:1007 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
4 |
1 |
190 |
16.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.033 |
47 |
|
[MG]B:1006 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
2 |
1 |
191 |
16.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
17.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.033 |
34 |
48 |
|
[MG]B:1004 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
3 |
1 |
189 |
17.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.017 |
49 |
|
[MG]A:1007 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
3 |
1 |
189 |
15.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
16.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.017 |
35 |
50 |
|
[MG]B:1007 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
4 |
1 |
191 |
16.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.018 |
51 |
|
[MG]A:1005 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
3 |
1 |
190 |
16.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.018 |
52 |
|
[MG]A:1003 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
1 |
1 |
190 |
3.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
12.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.018 |
36 |
53 |
|
[MG]B:1006 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
4 |
1 |
189 |
15.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.014 |
37 |
54 |
|
[MG]A:1006 |
1 |
1 |
98 |
◊ |
[PO4]A:1002 |
x,y,z |
1_555 |
4 |
1 |
189 |
15.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.014 |
38 |
55 |
|
[MG]B:1007 |
1 |
1 |
98 |
◊ |
[PO4]B:1002 |
x,y,z |
1_555 |
3 |
1 |
189 |
15.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.014 |
39 |
56 |
|
[K]A:1008 |
1 |
1 |
216 |
f |
[PO4]A:1002 |
x,y,z |
1_555 |
3 |
1 |
189 |
12.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.045 |
40 |
57 |
|
[K]B:1008 |
1 |
1 |
216 |
f |
[PO4]B:1002 |
x,y,z |
1_555 |
2 |
1 |
189 |
12.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.044 |
41 |
58 |
|
[MG]A:1006 |
1 |
1 |
98 |
f |
[MG]A:1004 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.036 |
42 |
59 |
|
[MG]A:1005 |
1 |
1 |
98 |
f |
[MG]A:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.035 |
43 |
60 |
|
[MG]B:1005 |
1 |
1 |
98 |
f |
[MG]B:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.035 |
44 |
61 |
|
[1PG]A:1009 |
3 |
1 |
522 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
24544 |
11.3 |
0.5 |
0.308 |
0 |
0 |
0 |
0.000 |
45 |
62 |
|
[MG]B:1006 |
1 |
1 |
98 |
f |
[MG]B:1004 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.033 |
46 |
63 |
|
[K]B:1008 |
1 |
1 |
216 |
◊ |
[MG]B:1006 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.023 |
47 |
64 |
|
[K]A:1008 |
1 |
1 |
216 |
◊ |
[MG]A:1006 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.023 |
48 |
65 |
|
[MG]A:1004 |
1 |
1 |
98 |
◊ |
[PO4]A:1001 |
x,y,z |
1_555 |
1 |
1 |
190 |
4.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
66 |
|
[MG]B:1003 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
1 |
1 |
191 |
3.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
4.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
49 |
67 |
|
[MG]B:1004 |
1 |
1 |
98 |
◊ |
[PO4]B:1001 |
x,y,z |
1_555 |
1 |
1 |
191 |
3.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
50 |
68 |
|
[MG]B:1007 |
1 |
1 |
98 |
f |
[MG]B:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.010 |
51 |
69 |
|
[MG]B:1006 |
1 |
1 |
98 |
f |
[MG]B:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.010 |
52 |
70 |
|
[MG]A:1007 |
1 |
1 |
98 |
f |
[MG]A:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
53 |
71 |
|
[MG]A:1004 |
1 |
1 |
98 |
f |
[MG]A:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
54 |
72 |
|
[MG]A:1006 |
1 |
1 |
98 |
f |
[MG]A:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
55 |
73 |
|
[MG]B:1004 |
1 |
1 |
98 |
f |
[MG]B:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
56 |
74 |
|
[MG]B:1006 |
1 |
1 |
98 |
f |
[MG]B:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
57 |
75 |
|
[MG]B:1007 |
1 |
1 |
98 |
f |
[MG]B:1006 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
58 |
76 |
|
[MG]A:1007 |
1 |
1 |
98 |
f |
[MG]A:1006 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
59 |
77 |
|
[MG]A:1006 |
1 |
1 |
98 |
f |
[MG]A:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|