| ## |
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 |
82 |
26 |
11605 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
82 |
26 |
11605 |
764.5 |
-3.4 |
0.607 |
10 |
0 |
0 |
0.000 |
2 |
|
A |
78 |
27 |
11569 |
◊ |
A |
-x+1,y,-z |
2_655 |
78 |
27 |
11569 |
689.9 |
-3.9 |
0.549 |
8 |
0 |
0 |
0.000 |
| Average: |
727.2 |
-3.6 |
0.578 |
9 |
0 |
0 |
0.000 |
| 2 |
3 |
|
B |
54 |
17 |
11605 |
x |
B |
x-1/2,y+1/2,z |
3_455 |
57 |
18 |
11605 |
517.3 |
-4.7 |
0.342 |
5 |
0 |
0 |
0.000 |
4 |
|
A |
54 |
18 |
11569 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
55 |
17 |
11569 |
512.8 |
-4.3 |
0.371 |
4 |
0 |
0 |
0.000 |
| Average: |
515.1 |
-4.5 |
0.356 |
5 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
48 |
17 |
11605 |
◊ |
A |
x,y,z |
1_555 |
46 |
17 |
11569 |
438.8 |
-3.2 |
0.463 |
1 |
0 |
0 |
0.025 |
| 4 |
6 |
|
[SO4]B:305 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
11605 |
101.0 |
-14.8 |
0.643 |
6 |
0 |
0 |
0.117 |
| 5 |
7 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
11605 |
80.7 |
-11.0 |
0.821 |
3 |
0 |
0 |
0.083 |
| 6 |
8 |
|
[SO4]B:307 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11605 |
80.0 |
-11.7 |
0.869 |
1 |
0 |
0 |
0.082 |
| 7 |
9 |
|
[SO4]A:303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
11569 |
78.1 |
-10.4 |
0.891 |
0 |
0 |
0 |
0.070 |
| 8 |
10 |
|
[SO4]B:303 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
11569 |
74.7 |
-9.6 |
0.890 |
2 |
0 |
0 |
0.070 |
| 9 |
11 |
|
[SO4]A:304 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
11569 |
71.2 |
-9.6 |
0.926 |
1 |
0 |
0 |
0.068 |
| 10 |
12 |
|
[SO4]B:306 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11605 |
69.5 |
-9.7 |
0.913 |
1 |
0 |
0 |
0.068 |
| 11 |
13 |
|
[SO4]B:304 |
4 |
1 |
186 |
f |
A |
-x+1,y,-z+1 |
2_656 |
14 |
4 |
11569 |
58.1 |
-6.8 |
0.883 |
2 |
0 |
0 |
0.052 |
| 12 |
14 |
|
[SO4]B:304 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
11605 |
42.1 |
-4.0 |
0.973 |
2 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[SO4]A:304 |
4 |
1 |
189 |
f |
[SO4]A:303 |
x,y,z |
1_555 |
4 |
1 |
186 |
40.4 |
-8.9 |
0.998 |
0 |
0 |
0 |
0.060 |
| 14 |
16 |
|
B |
5 |
2 |
11605 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
7 |
4 |
11569 |
39.3 |
0.9 |
0.808 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[NI]A:305 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11569 |
38.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.049 |
18 |
|
[NI]B:308 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
11605 |
37.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.049 |
| Average: |
37.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.049 |
| 16 |
19 |
|
[SO4]B:307 |
4 |
1 |
186 |
f |
[SO4]B:306 |
x,y,z |
1_555 |
4 |
1 |
187 |
37.5 |
-8.3 |
0.998 |
0 |
0 |
0 |
0.056 |
| 17 |
20 |
|
[NI]A:305 |
1 |
1 |
115 |
cf |
[SO4]A:303 |
x,y,z |
1_555 |
4 |
1 |
186 |
36.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.051 |
| 18 |
21 |
|
[NI]B:308 |
1 |
1 |
115 |
f |
[SO4]B:307 |
x,y,z |
1_555 |
4 |
1 |
186 |
35.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.100 |
22 |
|
[NI]B:308 |
1 |
1 |
115 |
cf |
[SO4]B:306 |
x,y,z |
1_555 |
4 |
1 |
187 |
34.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
35.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.100 |
| 19 |
23 |
|
[NI]A:305 |
1 |
1 |
115 |
cf |
[SO4]A:304 |
x,y,z |
1_555 |
3 |
1 |
189 |
35.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.050 |
| 20 |
24 |
|
B |
4 |
2 |
11605 |
◊ |
A |
-x+1,y,-z |
2_655 |
6 |
2 |
11569 |
25.6 |
0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[SO4]B:305 |
3 |
1 |
186 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
11605 |
15.6 |
-1.4 |
0.920 |
0 |
0 |
0 |
0.000 |
|