| ## |
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 |
181 |
52 |
12522 |
◊ |
A |
x,y,z |
1_555 |
188 |
53 |
12103 |
1784.2 |
-21.6 |
0.111 |
25 |
9 |
0 |
0.131 |
| 2 |
2 |
|
B |
55 |
16 |
12522 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
51 |
15 |
12103 |
505.8 |
-5.9 |
0.298 |
1 |
0 |
0 |
0.027 |
| 3 |
3 |
|
A |
60 |
16 |
12103 |
◊ |
B |
x,y-1,z |
1_545 |
49 |
18 |
12522 |
500.6 |
-0.9 |
0.680 |
9 |
3 |
0 |
0.000 |
4 |
|
A |
51 |
18 |
12103 |
◊ |
B |
x-1,y-1,z |
1_445 |
52 |
16 |
12522 |
482.5 |
-1.4 |
0.616 |
7 |
3 |
0 |
0.000 |
| Average: |
491.5 |
-1.2 |
0.648 |
8 |
3 |
0 |
0.000 |
| 4 |
5 |
|
[SO4]B:401 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
12522 |
118.1 |
-19.7 |
0.715 |
4 |
0 |
0 |
0.092 |
| 5 |
6 |
|
[SO4]A:402 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
12103 |
117.8 |
-21.2 |
0.578 |
4 |
0 |
0 |
0.099 |
| 6 |
7 |
|
[SO4]B:406 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
12522 |
116.3 |
-19.1 |
0.565 |
2 |
0 |
0 |
0.086 |
| 7 |
8 |
|
[SO4]A:406 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
12103 |
111.6 |
-18.4 |
0.623 |
2 |
0 |
0 |
0.083 |
| 8 |
9 |
|
[SO4]A:407 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
12103 |
108.6 |
-19.0 |
0.624 |
0 |
0 |
0 |
0.082 |
| 9 |
10 |
|
[SO4]B:402 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
12522 |
106.3 |
-18.5 |
0.637 |
3 |
0 |
0 |
0.085 |
| 10 |
11 |
|
[SO4]A:403 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
12103 |
100.9 |
-15.1 |
0.760 |
1 |
0 |
0 |
0.067 |
| 11 |
12 |
|
[SO4]B:403 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
12522 |
96.0 |
-14.0 |
0.767 |
1 |
0 |
0 |
0.062 |
| 12 |
13 |
|
[SO4]A:401 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12103 |
89.0 |
-13.0 |
0.665 |
2 |
0 |
0 |
0.060 |
| 13 |
14 |
|
[SO4]B:404 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
12522 |
86.0 |
-13.3 |
0.698 |
3 |
0 |
0 |
0.063 |
| 14 |
15 |
|
[SO4]B:405 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
12522 |
78.5 |
-12.1 |
0.668 |
2 |
0 |
0 |
0.056 |
| 15 |
16 |
|
[IOD]A:408 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
19 |
12 |
12103 |
73.7 |
-0.0 |
0.771 |
0 |
0 |
0 |
0.000 |
17 |
|
[IOD]A:410 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
12103 |
66.3 |
0.1 |
0.773 |
0 |
0 |
0 |
0.000 |
| Average: |
70.0 |
0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[SO4]A:405 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12103 |
72.4 |
-11.3 |
0.589 |
0 |
0 |
0 |
0.049 |
| 17 |
19 |
|
[IOD]B:407 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
12522 |
66.6 |
-0.1 |
0.729 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[SO4]A:404 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12522 |
63.9 |
-9.7 |
0.615 |
0 |
0 |
0 |
0.042 |
| 19 |
21 |
|
[SO4]B:405 |
5 |
1 |
183 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
6 |
1 |
12103 |
56.7 |
-6.5 |
0.903 |
0 |
0 |
0 |
0.028 |
| 20 |
22 |
|
[IOD]A:409 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12103 |
48.6 |
0.1 |
0.798 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[IOD]A:409 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12522 |
45.1 |
-0.3 |
0.546 |
0 |
0 |
0 |
0.001 |
| 22 |
24 |
|
[SO4]A:404 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12103 |
43.7 |
-5.4 |
0.440 |
0 |
0 |
0 |
0.021 |
| 23 |
25 |
|
[SO4]A:405 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12522 |
43.5 |
-5.2 |
0.489 |
0 |
0 |
0 |
0.020 |
| 24 |
26 |
|
B |
2 |
2 |
12522 |
◊ |
[SO4]A:401 |
x-y,x,z-1/6 |
2_554 |
3 |
1 |
185 |
40.5 |
-5.0 |
0.443 |
0 |
0 |
0 |
0.022 |
| 25 |
27 |
|
[IOD]B:407 |
1 |
1 |
144 |
f |
[IOD]A:409 |
x,y,z |
1_555 |
1 |
1 |
144 |
31.8 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[IOD]A:410 |
1 |
1 |
144 |
f |
[IOD]A:408 |
x,y,z |
1_555 |
1 |
1 |
144 |
30.9 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[IOD]B:407 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12103 |
30.7 |
-0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
A |
3 |
1 |
12103 |
◊ |
[SO4]B:404 |
x-1,y-1,z |
1_445 |
2 |
1 |
185 |
15.7 |
-1.8 |
0.846 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[SO4]B:405 |
1 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12103 |
7.6 |
-0.8 |
0.801 |
0 |
0 |
0 |
0.003 |
|