## |
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 |
|
A |
104 |
25 |
5491 |
◊ |
C |
x-1,y,z |
1_455 |
106 |
27 |
5609 |
984.1 |
-13.5 |
0.235 |
0 |
2 |
0 |
0.375 |
2 |
2 |
|
B |
59 |
17 |
5451 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
48 |
13 |
5451 |
477.0 |
-3.5 |
0.572 |
1 |
0 |
0 |
0.000 |
3 |
|
D |
44 |
13 |
5340 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
55 |
16 |
5340 |
459.6 |
-4.4 |
0.524 |
4 |
0 |
0 |
0.000 |
Average: |
468.3 |
-3.9 |
0.548 |
3 |
0 |
0 |
0.000 |
3 |
4 |
|
D |
53 |
16 |
5340 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
50 |
13 |
5609 |
466.8 |
-4.9 |
0.449 |
2 |
0 |
0 |
0.200 |
5 |
|
A |
48 |
13 |
5491 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
50 |
14 |
5451 |
435.7 |
-5.5 |
0.384 |
4 |
0 |
0 |
0.200 |
Average: |
451.2 |
-5.2 |
0.416 |
3 |
0 |
0 |
0.200 |
4 |
6 |
|
B |
46 |
12 |
5451 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
43 |
12 |
5609 |
424.7 |
-2.4 |
0.571 |
2 |
0 |
0 |
0.000 |
7 |
|
A |
37 |
12 |
5491 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
39 |
11 |
5340 |
339.9 |
-3.1 |
0.546 |
1 |
1 |
0 |
0.000 |
Average: |
382.3 |
-2.8 |
0.559 |
2 |
1 |
0 |
0.000 |
5 |
8 |
|
D |
43 |
11 |
5340 |
◊ |
C |
x,y,z |
1_555 |
41 |
10 |
5609 |
361.9 |
-1.2 |
0.679 |
3 |
2 |
0 |
0.000 |
9 |
|
B |
38 |
11 |
5451 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
5491 |
356.2 |
-2.0 |
0.511 |
3 |
2 |
0 |
0.000 |
Average: |
359.0 |
-1.6 |
0.595 |
3 |
2 |
0 |
0.000 |
6 |
10 |
|
A |
30 |
9 |
5491 |
◊ |
D |
x-1,y,z |
1_455 |
36 |
10 |
5340 |
288.7 |
-0.5 |
0.742 |
4 |
1 |
0 |
0.000 |
11 |
|
B |
34 |
10 |
5451 |
◊ |
C |
x-1,y,z |
1_455 |
26 |
9 |
5609 |
267.0 |
-0.3 |
0.739 |
2 |
2 |
0 |
0.000 |
Average: |
277.9 |
-0.4 |
0.740 |
3 |
2 |
0 |
0.000 |
7 |
12 |
|
C |
30 |
9 |
5609 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
5491 |
271.8 |
-0.4 |
0.722 |
3 |
0 |
0 |
0.000 |
8 |
13 |
|
B |
27 |
10 |
5451 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
26 |
8 |
5340 |
230.6 |
-1.8 |
0.542 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
C |
24 |
7 |
5609 |
x |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
10 |
5609 |
200.2 |
-0.1 |
0.639 |
2 |
7 |
0 |
0.000 |
15 |
|
A |
19 |
5 |
5491 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
6 |
5491 |
162.7 |
-1.7 |
0.518 |
1 |
1 |
0 |
0.000 |
Average: |
181.5 |
-0.9 |
0.578 |
2 |
4 |
0 |
0.000 |
10 |
16 |
|
B |
15 |
5 |
5451 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
26 |
9 |
5609 |
193.7 |
-1.7 |
0.494 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
D |
12 |
3 |
5340 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
21 |
8 |
5491 |
185.4 |
-2.7 |
0.289 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
B |
16 |
5 |
5451 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
15 |
4 |
5340 |
139.5 |
-1.4 |
0.445 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
C |
14 |
6 |
5609 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
5451 |
117.8 |
-1.9 |
0.367 |
1 |
0 |
0 |
0.000 |
20 |
|
D |
14 |
5 |
5340 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
5491 |
115.6 |
-1.8 |
0.397 |
1 |
0 |
0 |
0.000 |
Average: |
116.7 |
-1.9 |
0.382 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
D |
12 |
6 |
5340 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
5451 |
92.4 |
0.2 |
0.721 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
D |
10 |
4 |
5340 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
5491 |
79.6 |
-1.2 |
0.371 |
0 |
0 |
0 |
0.038 |
23 |
|
C |
6 |
2 |
5609 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
3 |
5451 |
70.6 |
-1.3 |
0.200 |
0 |
0 |
0 |
0.038 |
Average: |
75.1 |
-1.2 |
0.286 |
0 |
0 |
0 |
0.038 |
16 |
24 |
|
[SO4]C:301 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
5609 |
76.7 |
-10.3 |
0.877 |
3 |
0 |
0 |
0.316 |
17 |
25 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
5491 |
66.1 |
-8.8 |
0.828 |
2 |
0 |
0 |
0.263 |
18 |
26 |
|
D |
6 |
3 |
5340 |
◊ |
[SO4]A:301 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
185 |
51.0 |
-7.1 |
0.500 |
0 |
0 |
0 |
0.109 |
19 |
27 |
|
[SO4]C:301 |
5 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
3 |
5451 |
44.2 |
-6.5 |
0.589 |
0 |
0 |
0 |
0.099 |
20 |
28 |
|
D |
4 |
1 |
5340 |
◊ |
[SO4]A:301 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
185 |
36.9 |
-3.3 |
0.965 |
1 |
0 |
0 |
0.000 |
21 |
29 |
|
B |
4 |
1 |
5451 |
◊ |
[SO4]C:301 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
185 |
32.2 |
-3.3 |
0.969 |
1 |
0 |
0 |
0.000 |
22 |
30 |
|
[SO4]A:301 |
3 |
1 |
185 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
5609 |
9.1 |
-0.8 |
0.902 |
0 |
0 |
0 |
0.022 |
23 |
31 |
|
D |
1 |
1 |
5340 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
5451 |
8.8 |
0.7 |
0.930 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
A |
1 |
1 |
5491 |
◊ |
[SO4]C:301 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
8.1 |
-0.8 |
0.804 |
0 |
0 |
0 |
0.023 |
|