## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
90 |
17 |
9405 |
◊ |
A |
x,y,z |
1_555 |
125 |
40 |
12035 |
949.2 |
-1.8 |
0.437 |
12 |
9 |
0 |
0.113 |
2 |
|
A |
67 |
24 |
12035 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
67 |
23 |
12035 |
589.7 |
5.1 |
0.904 |
10 |
5 |
0 |
0.000 |
3 |
|
A |
48 |
14 |
12035 |
◊ |
B |
-x+1/2,y-1/2,-z-3/4 |
5_544 |
52 |
19 |
9405 |
435.9 |
-2.6 |
0.394 |
2 |
0 |
0 |
0.000 |
4 |
|
A |
47 |
15 |
12035 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
48 |
16 |
12035 |
395.3 |
-0.5 |
0.606 |
8 |
6 |
0 |
0.028 |
5 |
|
B |
35 |
10 |
9405 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
36 |
10 |
12035 |
286.6 |
2.3 |
0.829 |
4 |
2 |
0 |
0.000 |
6 |
|
B |
25 |
5 |
9405 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
25 |
5 |
9405 |
200.1 |
1.0 |
0.744 |
0 |
0 |
0 |
0.000 |
7 |
|
A |
9 |
5 |
12035 |
◊ |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
12 |
4 |
9405 |
93.0 |
2.2 |
0.878 |
2 |
2 |
0 |
0.000 |
8 |
|
[SO4]B:301 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
9405 |
87.3 |
-13.4 |
0.720 |
5 |
0 |
0 |
0.208 |
9 |
|
[SO4]A:301 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12035 |
85.9 |
-13.1 |
0.707 |
5 |
0 |
0 |
0.204 |
10 |
|
[NI]A:302 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
12035 |
43.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.078 |
11 |
|
[NI]A:303 |
1 |
1 |
115 |
cf |
A |
x,y,z |
1_555 |
5 |
3 |
12035 |
39.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.100 |
12 |
|
[NI]B:302 |
1 |
1 |
115 |
f |
B |
-y,-x,-z-1/2 |
8_554 |
8 |
3 |
9405 |
39.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.071 |
13 |
|
[NI]A:304 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12035 |
37.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.054 |
14 |
|
[NI]A:302 |
1 |
1 |
115 |
cf |
B |
x,y,z |
1_555 |
5 |
2 |
9405 |
37.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.052 |
15 |
|
[NI]A:304 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
9405 |
36.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.060 |
16 |
|
[NI]B:302 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
9405 |
32.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.041 |
17 |
|
[NI]A:304 |
1 |
1 |
115 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
3 |
1 |
12035 |
29.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.034 |
18 |
|
B |
3 |
1 |
9405 |
◊ |
B |
y,x,-z |
7_555 |
3 |
1 |
9405 |
26.3 |
0.7 |
0.834 |
0 |
0 |
0 |
0.000 |
19 |
|
[NI]A:303 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
9405 |
24.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.028 |
20 |
|
[NI]A:303 |
1 |
1 |
115 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
4 |
1 |
9405 |
19.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.016 |
21 |
|
[NI]A:302 |
1 |
1 |
115 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
2 |
1 |
12035 |
14.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.017 |
22 |
|
[NI]B:302 |
1 |
1 |
115 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
2 |
1 |
12035 |
13.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.019 |
23 |
|
[NI]B:302 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
12035 |
12.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
24 |
|
B |
3 |
1 |
9405 |
◊ |
A |
-y,-x+1,-z-1/2 |
8_564 |
3 |
2 |
12035 |
10.3 |
-0.2 |
0.516 |
0 |
0 |
0 |
0.000 |
25 |
|
[SO4]A:301 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9405 |
8.3 |
-0.9 |
0.775 |
0 |
0 |
0 |
0.012 |
|