## |
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 |
195 |
51 |
11684 |
◊ |
A |
x,y,z |
1_555 |
191 |
54 |
12224 |
1763.6 |
-22.5 |
0.223 |
25 |
8 |
0 |
0.760 |
2 |
2 |
|
A |
65 |
18 |
12224 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
65 |
18 |
12224 |
615.6 |
-7.5 |
0.361 |
4 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
56 |
15 |
12224 |
◊ |
A |
y,x,-z+1 |
6_556 |
56 |
15 |
12224 |
499.7 |
-6.4 |
0.319 |
0 |
2 |
0 |
0.000 |
4 |
4 |
|
A |
41 |
11 |
12224 |
◊ |
B |
-x+1/2,y-1/2,-z+3/4 |
7_545 |
35 |
12 |
11684 |
357.3 |
-2.6 |
0.531 |
3 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
41 |
15 |
11684 |
◊ |
B |
-y+1,-x+1,-z+3/2 |
8_666 |
39 |
14 |
11684 |
330.8 |
-1.0 |
0.733 |
4 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
35 |
15 |
12224 |
x |
A |
-y+1/2,x+1/2,z-1/4 |
2_554 |
46 |
16 |
12224 |
330.0 |
-3.4 |
0.531 |
4 |
2 |
0 |
0.000 |
7 |
7 |
|
B |
28 |
11 |
11684 |
◊ |
A |
y,x,-z+1 |
6_556 |
31 |
12 |
12224 |
252.6 |
0.3 |
0.759 |
5 |
3 |
0 |
0.000 |
8 |
8 |
|
B |
19 |
9 |
11684 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
16 |
6 |
12224 |
145.7 |
0.3 |
0.684 |
3 |
4 |
0 |
0.000 |
9 |
9 |
|
[EDO]B:304 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
14 |
8 |
11684 |
104.0 |
2.8 |
0.632 |
2 |
0 |
0 |
0.000 |
10 |
|
[EDO]A:302 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
9 |
12224 |
99.1 |
2.9 |
0.661 |
2 |
0 |
0 |
0.000 |
Average: |
101.6 |
2.9 |
0.646 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
[PO4]B:301 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
11684 |
96.0 |
-5.6 |
0.776 |
3 |
0 |
0 |
0.151 |
11 |
12 |
|
[EDO]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
11684 |
73.6 |
2.1 |
0.450 |
2 |
0 |
0 |
0.000 |
12 |
13 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12224 |
66.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.211 |
13 |
14 |
|
[EDO]A:301 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
11684 |
66.3 |
1.2 |
0.249 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
B |
10 |
5 |
11684 |
x |
B |
x-1/2,-y+3/2,-z+5/4 |
5_466 |
10 |
5 |
11684 |
61.5 |
-0.8 |
0.485 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:301 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12224 |
60.7 |
1.2 |
0.868 |
3 |
0 |
0 |
0.002 |
16 |
17 |
|
[EDO]B:305 |
4 |
1 |
184 |
cf |
[EDO]B:305 |
-y+1,-x+1,-z+3/2 |
8_666 |
4 |
1 |
184 |
60.1 |
2.1 |
1.000 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]B:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
12224 |
57.0 |
0.9 |
0.231 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]B:302 |
4 |
1 |
185 |
◊ |
A |
y,x,-z+1 |
6_556 |
14 |
4 |
12224 |
56.7 |
1.1 |
0.245 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]B:305 |
3 |
1 |
184 |
◊ |
B |
-y+1,-x+1,-z+3/2 |
8_666 |
9 |
4 |
11684 |
51.6 |
0.9 |
0.730 |
1 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]A:301 |
4 |
1 |
187 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
6 |
3 |
12224 |
48.0 |
0.9 |
0.599 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
B |
5 |
2 |
11684 |
◊ |
B |
y,x,-z+1 |
6_556 |
5 |
2 |
11684 |
42.9 |
1.3 |
0.913 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]B:305 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11684 |
42.3 |
0.9 |
0.805 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[EDO]B:303 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
12224 |
39.6 |
0.4 |
0.612 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]B:304 |
3 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
12224 |
36.5 |
0.6 |
0.699 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:302 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
11684 |
34.1 |
0.5 |
0.686 |
0 |
0 |
0 |
0.000 |
Average: |
35.3 |
0.5 |
0.692 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[PO4]B:301 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12224 |
32.5 |
-1.0 |
0.944 |
2 |
0 |
0 |
0.041 |
26 |
28 |
|
[EDO]B:303 |
4 |
1 |
185 |
f |
[EDO]B:302 |
x,y,z |
1_555 |
3 |
1 |
185 |
31.9 |
1.0 |
1.000 |
3 |
0 |
0 |
0.008 |
27 |
29 |
|
[EDO]B:302 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11684 |
29.5 |
0.5 |
0.857 |
2 |
0 |
0 |
0.008 |
28 |
30 |
|
[EDO]B:303 |
1 |
1 |
185 |
◊ |
A |
y,x,-z+1 |
6_556 |
1 |
1 |
12224 |
14.5 |
-0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
A |
1 |
1 |
12224 |
◊ |
B |
y-1,x,-z+1 |
6_456 |
1 |
1 |
11684 |
1.8 |
-0.1 |
0.465 |
0 |
0 |
0 |
0.000 |
|