## |
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 |
178 |
51 |
14929 |
◊ |
A |
x-y,-y,-z |
5_555 |
188 |
55 |
14883 |
1715.3 |
-14.2 |
0.476 |
14 |
21 |
0 |
0.300 |
2 |
|
B |
190 |
54 |
14929 |
◊ |
A |
-x,-x+y,-z |
6_555 |
172 |
51 |
14883 |
1712.9 |
-14.8 |
0.448 |
14 |
21 |
0 |
0.300 |
Average: |
1714.1 |
-14.5 |
0.462 |
14 |
21 |
0 |
0.300 |
2 |
3 |
|
[ADP]A:501 |
25 |
1 |
543 |
f |
A |
x,y,z |
1_555 |
55 |
18 |
14883 |
341.8 |
-4.6 |
0.673 |
15 |
0 |
0 |
0.148 |
4 |
|
[ADP]B:501 |
25 |
1 |
543 |
f |
B |
x,y,z |
1_555 |
53 |
18 |
14929 |
340.2 |
-4.8 |
0.661 |
17 |
0 |
0 |
0.148 |
Average: |
341.0 |
-4.7 |
0.667 |
16 |
0 |
0 |
0.148 |
3 |
5 |
|
B |
33 |
9 |
14929 |
◊ |
B |
-x-2/3,-x+y-1/3,-z-1/3 |
18_444 |
32 |
9 |
14929 |
285.1 |
-3.5 |
0.391 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
30 |
12 |
14929 |
◊ |
A |
x,y,z |
1_555 |
31 |
13 |
14883 |
252.8 |
-3.5 |
0.369 |
0 |
0 |
0 |
0.021 |
5 |
7 |
|
B |
22 |
7 |
14929 |
◊ |
B |
-x,-x+y,-z |
6_555 |
21 |
7 |
14929 |
184.1 |
-0.9 |
0.621 |
2 |
2 |
0 |
0.012 |
8 |
|
A |
22 |
7 |
14883 |
◊ |
A |
x-y,-y,-z |
5_555 |
22 |
7 |
14883 |
178.7 |
-1.0 |
0.614 |
2 |
2 |
0 |
0.012 |
Average: |
181.4 |
-0.9 |
0.617 |
2 |
2 |
0 |
0.012 |
6 |
9 |
|
[EDO]B:506 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
14929 |
116.7 |
3.4 |
0.508 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
[SO4]B:502 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14929 |
99.4 |
-13.2 |
0.877 |
4 |
0 |
0 |
0.094 |
8 |
11 |
|
[SO4]A:502 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
14883 |
97.6 |
-12.7 |
0.886 |
5 |
0 |
0 |
0.094 |
9 |
12 |
|
[SO4]A:503 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14883 |
96.1 |
-13.6 |
0.633 |
3 |
0 |
0 |
0.094 |
10 |
13 |
|
[SO4]B:503 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
14929 |
94.9 |
-13.3 |
0.641 |
2 |
0 |
0 |
0.089 |
11 |
14 |
|
[EDO]A:506 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14883 |
90.5 |
2.4 |
0.301 |
4 |
0 |
0 |
0.000 |
12 |
15 |
|
[SO4]A:504 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14883 |
83.2 |
-12.3 |
0.714 |
2 |
0 |
0 |
0.083 |
13 |
16 |
|
[SO4]B:504 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14929 |
83.0 |
-12.4 |
0.699 |
2 |
0 |
0 |
0.084 |
14 |
17 |
|
[EDO]B:505 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14929 |
66.2 |
1.0 |
0.740 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
[EDO]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14883 |
63.1 |
1.0 |
0.743 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
A |
8 |
3 |
14883 |
◊ |
A |
-x,-x+y,-z |
6_555 |
8 |
3 |
14883 |
58.3 |
-1.6 |
0.264 |
0 |
0 |
0 |
0.010 |
20 |
|
B |
8 |
3 |
14929 |
◊ |
B |
x-y,-y,-z |
5_555 |
8 |
3 |
14929 |
56.2 |
-1.6 |
0.276 |
0 |
0 |
0 |
0.010 |
Average: |
57.3 |
-1.6 |
0.270 |
0 |
0 |
0 |
0.010 |
17 |
21 |
|
B |
6 |
1 |
14929 |
x |
B |
-y,x-y,z |
2_555 |
4 |
1 |
14929 |
41.5 |
-0.1 |
0.608 |
1 |
0 |
0 |
0.007 |
22 |
|
A |
4 |
1 |
14883 |
x |
A |
-y,x-y,z |
2_555 |
3 |
1 |
14883 |
39.9 |
-0.5 |
0.408 |
0 |
0 |
0 |
0.007 |
Average: |
40.7 |
-0.3 |
0.508 |
1 |
0 |
0 |
0.007 |
18 |
23 |
|
A |
7 |
3 |
14883 |
◊ |
A |
y-1/3,x+1/3,-z+1/3 |
10_455 |
7 |
3 |
14883 |
40.2 |
0.2 |
0.721 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]A:505 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14929 |
38.6 |
1.3 |
0.857 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[EDO]A:506 |
3 |
1 |
186 |
f |
[ADP]A:501 |
x,y,z |
1_555 |
4 |
1 |
543 |
36.0 |
-0.7 |
0.611 |
2 |
0 |
0 |
0.010 |
21 |
26 |
|
[EDO]B:505 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14883 |
31.4 |
1.0 |
0.794 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[SO4]A:503 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
14929 |
20.0 |
-2.7 |
0.706 |
0 |
0 |
0 |
0.016 |
23 |
28 |
|
[EDO]A:506 |
2 |
1 |
186 |
◊ |
B |
-x,-x+y,-z |
6_555 |
3 |
1 |
14929 |
18.7 |
0.9 |
0.903 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[SO4]B:503 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
14883 |
16.8 |
-2.2 |
0.736 |
0 |
0 |
0 |
0.013 |
25 |
30 |
|
[EDO]A:505 |
3 |
1 |
185 |
f |
[SO4]A:503 |
x,y,z |
1_555 |
4 |
1 |
185 |
16.0 |
-1.1 |
0.999 |
0 |
0 |
0 |
0.007 |
26 |
31 |
|
[EDO]B:505 |
2 |
1 |
186 |
f |
[SO4]B:503 |
x,y,z |
1_555 |
4 |
1 |
185 |
14.9 |
-1.1 |
0.999 |
0 |
0 |
0 |
0.007 |
27 |
32 |
|
B |
2 |
1 |
14929 |
◊ |
A |
y,x,-z |
4_555 |
2 |
1 |
14883 |
9.8 |
-0.3 |
0.372 |
0 |
0 |
0 |
0.002 |
28 |
33 |
|
[SO4]B:503 |
1 |
1 |
185 |
◊ |
A |
x-y,-y,-z |
5_555 |
1 |
1 |
14883 |
7.0 |
-1.0 |
0.482 |
0 |
0 |
0 |
0.006 |
29 |
34 |
|
[SO4]A:503 |
1 |
1 |
185 |
◊ |
B |
-x,-x+y,-z |
6_555 |
1 |
1 |
14929 |
5.7 |
-0.8 |
0.507 |
0 |
0 |
0 |
0.005 |
30 |
35 |
|
[ADP]B:501 |
1 |
1 |
543 |
◊ |
A |
x-y,-y,-z |
5_555 |
1 |
1 |
14883 |
3.1 |
-0.2 |
0.372 |
0 |
0 |
0 |
0.002 |
36 |
|
[ADP]A:501 |
1 |
1 |
543 |
◊ |
B |
-x,-x+y,-z |
6_555 |
3 |
1 |
14929 |
2.6 |
-0.2 |
0.458 |
0 |
0 |
0 |
0.002 |
Average: |
2.8 |
-0.2 |
0.415 |
0 |
0 |
0 |
0.002 |
|