| ## |
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 |
449 |
111 |
21099 |
◊ |
A |
x,y,z |
1_555 |
442 |
113 |
21157 |
3991.4 |
-42.0 |
0.005 |
80 |
16 |
0 |
0.752 |
| 2 |
2 |
|
A |
42 |
14 |
21157 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
17 |
21099 |
426.5 |
3.5 |
0.838 |
8 |
2 |
0 |
0.000 |
| 3 |
3 |
|
[6TA]A:501 |
27 |
1 |
632 |
f |
A |
x,y,z |
1_555 |
56 |
17 |
21157 |
424.3 |
4.1 |
0.199 |
1 |
0 |
0 |
0.000 |
4 |
|
[6TA]B:501 |
27 |
1 |
627 |
f |
B |
x,y,z |
1_555 |
57 |
18 |
21099 |
402.7 |
3.8 |
0.204 |
1 |
0 |
0 |
0.000 |
| Average: |
413.5 |
3.9 |
0.201 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
32 |
9 |
21099 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
26 |
7 |
21099 |
276.8 |
-2.6 |
0.253 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
26 |
6 |
21157 |
x |
A |
-x,y-1/2,-z |
2_545 |
28 |
9 |
21157 |
260.8 |
-2.1 |
0.263 |
3 |
0 |
0 |
0.000 |
| Average: |
268.8 |
-2.3 |
0.258 |
3 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
22 |
6 |
21157 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
6 |
21099 |
211.4 |
-3.1 |
0.176 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[EDO]A:506 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
21157 |
109.1 |
4.1 |
0.485 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[EDO]B:505 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
21099 |
103.7 |
4.2 |
0.527 |
3 |
0 |
0 |
0.000 |
10 |
|
[EDO]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
21157 |
100.3 |
4.1 |
0.526 |
3 |
0 |
0 |
0.000 |
| Average: |
102.0 |
4.1 |
0.527 |
3 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[PO4]A:508 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
21157 |
102.2 |
-6.1 |
0.699 |
3 |
0 |
0 |
0.095 |
| 9 |
12 |
|
[EDO]A:507 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
21157 |
100.4 |
3.5 |
0.486 |
4 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[PO4]B:508 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
21099 |
100.2 |
-6.2 |
0.706 |
3 |
0 |
0 |
0.071 |
| 11 |
14 |
|
[PO4]B:503 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
21099 |
93.0 |
-3.1 |
0.944 |
4 |
0 |
0 |
0.046 |
| 12 |
15 |
|
[PO4]A:503 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
21157 |
86.4 |
-4.1 |
0.799 |
6 |
0 |
0 |
0.086 |
| 13 |
16 |
|
[PO4]B:502 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
21099 |
85.3 |
-4.0 |
0.809 |
6 |
0 |
0 |
0.063 |
| 14 |
17 |
|
[PO4]A:502 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
21157 |
84.1 |
-2.7 |
0.942 |
4 |
0 |
0 |
0.056 |
| 15 |
18 |
|
[EDO]B:509 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
21099 |
81.5 |
2.4 |
0.249 |
1 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]B:506 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
21099 |
80.5 |
2.1 |
0.408 |
3 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[EDO]A:505 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
21157 |
80.4 |
2.3 |
0.246 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
21099 |
74.6 |
2.3 |
0.488 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[6TA]A:501 |
11 |
1 |
632 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
21099 |
72.9 |
1.7 |
0.281 |
0 |
0 |
0 |
0.000 |
23 |
|
[6TA]B:501 |
11 |
1 |
627 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
21157 |
69.5 |
1.6 |
0.281 |
0 |
0 |
0 |
0.000 |
| Average: |
71.2 |
1.6 |
0.281 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[EDO]B:507 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
21099 |
65.9 |
1.0 |
0.188 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[EDO]B:506 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
21157 |
56.2 |
1.2 |
0.200 |
1 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[PO4]A:503 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
21099 |
46.4 |
-1.9 |
0.851 |
2 |
0 |
0 |
0.026 |
| 23 |
27 |
|
[PO4]B:502 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
21157 |
44.7 |
-1.8 |
0.839 |
2 |
0 |
0 |
0.025 |
| 24 |
28 |
|
[EDO]B:507 |
3 |
1 |
184 |
f |
B |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
21099 |
42.8 |
0.5 |
0.434 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[EDO]B:505 |
3 |
1 |
185 |
f |
[PO4]B:503 |
x,y,z |
1_555 |
4 |
1 |
190 |
35.2 |
-0.7 |
0.986 |
1 |
0 |
0 |
0.011 |
| 26 |
30 |
|
[EDO]A:504 |
3 |
1 |
183 |
f |
[PO4]A:502 |
x,y,z |
1_555 |
4 |
1 |
188 |
33.2 |
-0.6 |
0.986 |
1 |
0 |
0 |
0.014 |
| 27 |
31 |
|
[PO4]B:503 |
4 |
1 |
190 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
21157 |
31.3 |
-1.5 |
0.828 |
1 |
0 |
0 |
0.018 |
| 28 |
32 |
|
[EDO]B:504 |
3 |
1 |
184 |
f |
[PO4]B:508 |
x,y,z |
1_555 |
3 |
1 |
188 |
30.8 |
-1.4 |
0.947 |
2 |
0 |
0 |
0.022 |
| 29 |
33 |
|
[EDO]B:507 |
3 |
1 |
184 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
21157 |
30.0 |
1.6 |
0.979 |
1 |
0 |
0 |
0.000 |
| 30 |
34 |
|
[EDO]B:504 |
3 |
1 |
184 |
f |
[6TA]B:501 |
x,y,z |
1_555 |
3 |
1 |
627 |
28.5 |
0.9 |
0.563 |
1 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[EDO]B:504 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
21157 |
28.5 |
1.5 |
0.967 |
1 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[PO4]A:502 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
21099 |
28.2 |
-1.3 |
0.830 |
1 |
0 |
0 |
0.017 |
| 33 |
37 |
|
A |
2 |
1 |
21157 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
21099 |
22.8 |
-0.5 |
0.302 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
[EDO]B:509 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
21157 |
22.3 |
0.4 |
0.834 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
[PO4]A:503 |
4 |
1 |
187 |
f |
[6TA]A:501 |
x,y,z |
1_555 |
4 |
1 |
632 |
22.0 |
-0.9 |
0.403 |
0 |
0 |
0 |
0.012 |
| 36 |
40 |
|
[PO4]B:502 |
4 |
1 |
187 |
f |
[6TA]B:501 |
x,y,z |
1_555 |
4 |
1 |
627 |
21.3 |
-0.9 |
0.399 |
0 |
0 |
0 |
0.008 |
| 37 |
41 |
|
[EDO]A:505 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
21099 |
21.3 |
0.4 |
0.863 |
0 |
0 |
0 |
0.000 |
| 38 |
42 |
|
[PO4]B:503 |
3 |
1 |
190 |
◊ |
[PO4]A:503 |
x,y,z |
1_555 |
3 |
1 |
187 |
17.5 |
-1.7 |
0.992 |
0 |
0 |
0 |
0.016 |
| 39 |
43 |
|
[EDO]B:504 |
3 |
1 |
184 |
◊ |
[PO4]A:502 |
x,y,z |
1_555 |
3 |
1 |
188 |
16.4 |
-0.6 |
0.996 |
0 |
0 |
0 |
0.006 |
| 40 |
44 |
|
[PO4]B:502 |
3 |
1 |
187 |
◊ |
[PO4]A:502 |
x,y,z |
1_555 |
3 |
1 |
188 |
16.0 |
-1.6 |
0.992 |
0 |
0 |
0 |
0.015 |
| 41 |
45 |
|
[PO4]A:508 |
2 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21099 |
11.8 |
-0.1 |
0.952 |
0 |
0 |
0 |
0.001 |
| 42 |
46 |
|
[EDO]B:504 |
2 |
1 |
184 |
f |
[PO4]B:502 |
x,y,z |
1_555 |
3 |
1 |
187 |
10.0 |
-0.2 |
0.996 |
0 |
0 |
0 |
0.002 |
| 43 |
47 |
|
[PO4]B:508 |
2 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21157 |
9.7 |
-0.2 |
0.950 |
0 |
0 |
0 |
0.002 |
| 44 |
48 |
|
[EDO]B:506 |
1 |
1 |
186 |
f |
[PO4]A:503 |
x,y,z |
1_555 |
1 |
1 |
187 |
4.4 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
|