| ## |
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 |
80 |
27 |
9887 |
◊ |
A |
x,y,z |
1_555 |
80 |
27 |
9835 |
708.9 |
-2.1 |
0.568 |
13 |
6 |
0 |
0.000 |
2 |
|
D |
75 |
25 |
9833 |
◊ |
C |
x,y,z |
1_555 |
80 |
25 |
9841 |
703.8 |
-2.5 |
0.549 |
13 |
6 |
0 |
0.000 |
| Average: |
706.4 |
-2.3 |
0.558 |
13 |
6 |
0 |
0.000 |
| 2 |
3 |
|
B |
53 |
17 |
9887 |
◊ |
D |
x,y,z-1 |
1_554 |
54 |
17 |
9833 |
484.8 |
1.6 |
0.785 |
8 |
6 |
0 |
0.000 |
4 |
|
A |
55 |
17 |
9835 |
◊ |
C |
x-1,y-1,z |
1_445 |
53 |
16 |
9841 |
482.4 |
0.2 |
0.692 |
7 |
7 |
0 |
0.000 |
| Average: |
483.6 |
0.9 |
0.739 |
8 |
7 |
0 |
0.000 |
| 3 |
5 |
|
D |
28 |
7 |
9833 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
9835 |
320.7 |
-3.1 |
0.318 |
1 |
0 |
0 |
0.000 |
6 |
|
C |
30 |
8 |
9841 |
◊ |
B |
x,y,z |
1_555 |
37 |
12 |
9887 |
314.2 |
-3.2 |
0.300 |
1 |
0 |
0 |
0.000 |
| Average: |
317.4 |
-3.1 |
0.309 |
1 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
20 |
5 |
9887 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
39 |
11 |
9841 |
271.3 |
-2.6 |
0.349 |
1 |
1 |
0 |
0.000 |
8 |
|
A |
22 |
5 |
9835 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
38 |
10 |
9833 |
269.3 |
-2.6 |
0.342 |
0 |
0 |
0 |
0.000 |
| Average: |
270.3 |
-2.6 |
0.345 |
1 |
1 |
0 |
0.000 |
| 5 |
9 |
|
B |
27 |
9 |
9887 |
◊ |
D |
x-1,y,z-1 |
1_454 |
16 |
4 |
9833 |
203.1 |
0.9 |
0.738 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
15 |
4 |
9835 |
◊ |
C |
x,y-1,z |
1_545 |
24 |
7 |
9841 |
200.9 |
0.9 |
0.737 |
0 |
0 |
0 |
0.000 |
11 |
|
D |
23 |
7 |
9833 |
◊ |
C |
x,y-1,z |
1_545 |
15 |
4 |
9841 |
186.0 |
0.7 |
0.735 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
16 |
6 |
9835 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
4 |
9887 |
124.1 |
0.4 |
0.657 |
0 |
0 |
0 |
0.000 |
| Average: |
178.5 |
0.7 |
0.717 |
0 |
0 |
0 |
0.000 |
| 6 |
13 |
|
A |
20 |
5 |
9835 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
9 |
9887 |
189.4 |
-1.3 |
0.433 |
1 |
0 |
0 |
0.000 |
14 |
|
D |
21 |
5 |
9833 |
◊ |
C |
x-1,y,z |
1_455 |
20 |
8 |
9841 |
181.2 |
-1.0 |
0.472 |
2 |
0 |
0 |
0.000 |
15 |
|
A |
20 |
8 |
9835 |
◊ |
C |
x-1,y,z |
1_455 |
20 |
5 |
9841 |
172.8 |
-1.5 |
0.416 |
1 |
0 |
0 |
0.000 |
16 |
|
B |
14 |
4 |
9887 |
◊ |
D |
x,y-1,z-1 |
1_544 |
11 |
7 |
9833 |
116.5 |
0.3 |
0.558 |
1 |
0 |
0 |
0.000 |
| Average: |
165.0 |
-0.9 |
0.470 |
1 |
0 |
0 |
0.000 |
| 7 |
17 |
|
[SO4]D:1221 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
9833 |
98.1 |
-14.8 |
0.835 |
5 |
0 |
0 |
0.065 |
18 |
|
[SO4]A:1221 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
9835 |
97.1 |
-14.9 |
0.832 |
5 |
0 |
0 |
0.065 |
| Average: |
97.6 |
-14.8 |
0.833 |
5 |
0 |
0 |
0.065 |
| 8 |
19 |
|
[SO4]C:1221 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
9841 |
97.6 |
-14.8 |
0.838 |
5 |
0 |
0 |
0.064 |
20 |
|
[SO4]B:1221 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
9887 |
96.6 |
-14.5 |
0.830 |
6 |
0 |
0 |
0.064 |
| Average: |
97.1 |
-14.7 |
0.834 |
6 |
0 |
0 |
0.064 |
| 9 |
21 |
|
[SO4]D:1222 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
9833 |
72.2 |
-8.7 |
0.946 |
2 |
0 |
0 |
0.036 |
| 10 |
22 |
|
[SO4]C:1222 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
9841 |
71.7 |
-8.9 |
0.934 |
2 |
0 |
0 |
0.036 |
23 |
|
[SO4]B:1222 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9887 |
71.3 |
-8.8 |
0.928 |
2 |
0 |
0 |
0.036 |
| Average: |
71.5 |
-8.8 |
0.931 |
2 |
0 |
0 |
0.036 |
| 11 |
24 |
|
[SO4]A:1222 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9835 |
69.3 |
-8.5 |
0.935 |
2 |
0 |
0 |
0.035 |
| 12 |
25 |
|
[SO4]D:1222 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
9835 |
59.9 |
-6.9 |
0.808 |
0 |
0 |
0 |
0.000 |
| 13 |
26 |
|
[SO4]C:1222 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9887 |
55.3 |
-6.3 |
0.801 |
0 |
0 |
0 |
0.000 |
| 14 |
27 |
|
[SO4]B:1222 |
4 |
1 |
184 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
4 |
2 |
9841 |
45.7 |
-4.5 |
0.942 |
1 |
0 |
0 |
0.000 |
| 15 |
28 |
|
[SO4]A:1222 |
4 |
1 |
184 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
5 |
2 |
9833 |
40.3 |
-4.8 |
0.466 |
0 |
0 |
0 |
0.000 |
| 16 |
29 |
|
B |
3 |
2 |
9887 |
x |
B |
x-1,y,z |
1_455 |
2 |
1 |
9887 |
18.2 |
0.8 |
0.854 |
0 |
0 |
0 |
0.000 |
30 |
|
C |
3 |
2 |
9841 |
x |
C |
x-1,y,z |
1_455 |
2 |
1 |
9841 |
14.8 |
0.7 |
0.838 |
0 |
0 |
0 |
0.000 |
31 |
|
A |
1 |
1 |
9835 |
x |
D |
x,y-1,z-1 |
1_544 |
2 |
1 |
9833 |
11.2 |
0.5 |
0.868 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
1 |
1 |
9835 |
x |
D |
x-1,y,z |
1_455 |
2 |
1 |
9833 |
10.5 |
0.5 |
0.843 |
0 |
0 |
0 |
0.000 |
| Average: |
13.7 |
0.6 |
0.851 |
0 |
0 |
0 |
0.000 |
| 17 |
33 |
|
[SO4]D:1222 |
1 |
1 |
185 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
9841 |
0.5 |
-0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
|