## |
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 |
300 |
85 |
15974 |
◊ |
A |
x,y,z |
1_555 |
303 |
86 |
15879 |
2874.1 |
-20.0 |
0.214 |
42 |
10 |
0 |
0.935 |
2 |
2 |
|
B |
51 |
16 |
15974 |
◊ |
B |
-x+1,y,-z |
2_655 |
52 |
16 |
15974 |
468.2 |
1.9 |
0.816 |
4 |
2 |
0 |
0.000 |
3 |
3 |
|
A |
46 |
12 |
15879 |
◊ |
B |
x-1,y,z |
1_455 |
47 |
12 |
15974 |
453.4 |
-1.1 |
0.595 |
6 |
4 |
0 |
0.000 |
4 |
4 |
|
A |
34 |
11 |
15879 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
34 |
11 |
15879 |
313.9 |
-4.4 |
0.210 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
16 |
7 |
15974 |
x |
B |
x-1/2,y+1/2,z |
3_455 |
15 |
7 |
15974 |
148.1 |
4.4 |
0.974 |
5 |
6 |
0 |
0.000 |
6 |
6 |
|
[PO4]A:390 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
24 |
13 |
15879 |
127.2 |
-8.3 |
0.697 |
6 |
0 |
0 |
0.255 |
7 |
7 |
|
[PO4]B:389 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
15974 |
122.5 |
-7.9 |
0.683 |
7 |
0 |
0 |
0.294 |
8 |
8 |
|
[EDO]A:393 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
15879 |
111.4 |
3.4 |
0.477 |
2 |
0 |
0 |
0.000 |
9 |
9 |
|
[EDO]A:394 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
15879 |
110.4 |
2.4 |
0.393 |
1 |
0 |
0 |
0.000 |
10 |
10 |
|
[EDO]B:390 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
15974 |
101.7 |
3.3 |
0.409 |
2 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:392 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
15879 |
100.1 |
3.2 |
0.424 |
2 |
0 |
0 |
0.000 |
Average: |
100.9 |
3.2 |
0.417 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]B:394 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
15974 |
101.3 |
3.3 |
0.468 |
3 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]B:397 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
15974 |
97.5 |
2.7 |
0.393 |
3 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]B:396 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
15879 |
95.7 |
2.3 |
0.404 |
1 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:395 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
15974 |
94.7 |
2.3 |
0.368 |
1 |
0 |
0 |
0.000 |
Average: |
95.2 |
2.3 |
0.386 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
[EDO]A:395 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
15879 |
94.3 |
2.7 |
0.433 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[EDO]B:393 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
15974 |
93.7 |
3.0 |
0.481 |
2 |
0 |
0 |
0.000 |
16 |
18 |
|
[EDO]A:396 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
15879 |
85.8 |
3.0 |
0.525 |
1 |
0 |
0 |
0.000 |
17 |
19 |
|
[EDO]B:391 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
15974 |
82.5 |
2.1 |
0.422 |
2 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]A:391 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15879 |
82.0 |
2.1 |
0.251 |
2 |
0 |
0 |
0.000 |
19 |
21 |
|
[EDO]B:391 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15879 |
81.6 |
1.6 |
0.250 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
[EDO]A:391 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
15974 |
81.3 |
1.7 |
0.244 |
1 |
0 |
0 |
0.000 |
21 |
23 |
|
[EDO]B:392 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
15974 |
76.2 |
1.3 |
0.137 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
A |
8 |
5 |
15879 |
f |
[EDO]B:392 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
75.9 |
1.3 |
0.144 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[CL]A:389 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
15879 |
70.1 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.215 |
24 |
26 |
|
A |
8 |
2 |
15879 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
7 |
3 |
15879 |
66.0 |
1.6 |
0.888 |
2 |
2 |
0 |
0.000 |
25 |
27 |
|
[EDO]B:396 |
3 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
15974 |
57.8 |
1.7 |
0.290 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]B:395 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
15879 |
56.1 |
1.6 |
0.827 |
1 |
0 |
0 |
0.000 |
Average: |
56.9 |
1.7 |
0.559 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
A |
6 |
3 |
15879 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
7 |
2 |
15974 |
44.7 |
1.0 |
0.825 |
1 |
0 |
0 |
0.000 |
27 |
30 |
|
[EDO]A:395 |
4 |
1 |
184 |
f |
A |
-x+1,y,-z+1 |
2_656 |
4 |
1 |
15879 |
44.5 |
0.4 |
0.431 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
B |
5 |
2 |
15974 |
◊ |
B |
-x,y,-z |
2_555 |
5 |
2 |
15974 |
40.8 |
-0.4 |
0.453 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[EDO]B:397 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
15879 |
36.3 |
0.6 |
0.679 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
[EDO]A:394 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
15974 |
29.5 |
0.6 |
0.837 |
1 |
0 |
0 |
0.000 |
31 |
34 |
|
B |
2 |
1 |
15974 |
x |
B |
x-1,y,z |
1_455 |
2 |
1 |
15974 |
16.3 |
0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
2 |
1 |
15879 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
15879 |
13.1 |
0.0 |
0.365 |
0 |
0 |
0 |
0.000 |
Average: |
14.7 |
0.0 |
0.424 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[PO4]B:389 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15879 |
15.6 |
-0.1 |
0.976 |
0 |
0 |
0 |
0.003 |
33 |
37 |
|
[PO4]A:390 |
3 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15974 |
15.0 |
-0.1 |
0.975 |
0 |
0 |
0 |
0.002 |
34 |
38 |
|
[EDO]B:393 |
1 |
1 |
184 |
f |
B |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
15974 |
6.9 |
0.3 |
0.915 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[EDO]B:397 |
1 |
1 |
183 |
f |
[PO4]B:389 |
x,y,z |
1_555 |
1 |
1 |
188 |
5.7 |
-0.2 |
0.894 |
0 |
0 |
0 |
0.006 |
|