| ## |
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 |
85 |
19 |
8228 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
97 |
25 |
8228 |
842.1 |
-2.1 |
0.306 |
6 |
1 |
0 |
0.000 |
2 |
|
A |
89 |
24 |
8228 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
80 |
17 |
8228 |
787.9 |
-0.4 |
0.380 |
8 |
3 |
0 |
0.000 |
| Average: |
815.0 |
-1.3 |
0.343 |
7 |
2 |
0 |
0.000 |
| 2 |
3 |
|
B |
70 |
21 |
8228 |
◊ |
A |
x,y,z |
1_555 |
68 |
21 |
8228 |
649.2 |
-5.3 |
0.174 |
6 |
0 |
0 |
0.037 |
| 3 |
4 |
|
A |
54 |
12 |
8228 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
43 |
11 |
8228 |
445.8 |
2.2 |
0.646 |
7 |
0 |
0 |
0.000 |
5 |
|
A |
36 |
9 |
8228 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
48 |
12 |
8228 |
373.9 |
1.9 |
0.649 |
5 |
0 |
0 |
0.000 |
| Average: |
409.9 |
2.0 |
0.648 |
6 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
36 |
12 |
8228 |
◊ |
B |
-x,y,-z |
2_555 |
36 |
12 |
8228 |
249.3 |
1.2 |
0.585 |
4 |
0 |
0 |
0.003 |
| 5 |
7 |
|
A |
19 |
5 |
8228 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
17 |
7 |
8228 |
141.5 |
1.0 |
0.632 |
1 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
13 |
4 |
8228 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
13 |
4 |
8228 |
109.0 |
1.4 |
0.703 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[SO4]A:206 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
8228 |
106.5 |
-17.2 |
0.526 |
4 |
0 |
0 |
0.097 |
| 8 |
10 |
|
[SO4]B:206 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
8228 |
96.8 |
-14.5 |
0.720 |
3 |
0 |
0 |
0.166 |
| 9 |
11 |
|
B |
7 |
3 |
8228 |
◊ |
A |
-x,y,-z |
2_555 |
11 |
3 |
8228 |
90.8 |
0.1 |
0.564 |
1 |
0 |
0 |
0.002 |
| 10 |
12 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8228 |
87.1 |
-11.7 |
0.831 |
3 |
0 |
0 |
0.136 |
| 11 |
13 |
|
[SO4]A:203 |
5 |
1 |
185 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
11 |
4 |
8228 |
83.3 |
-10.0 |
0.807 |
2 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[SO4]B:205 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
8228 |
77.8 |
-11.6 |
0.659 |
3 |
0 |
0 |
0.135 |
| 13 |
15 |
|
A |
13 |
4 |
8228 |
f |
[SO4]B:204 |
x-1/2,y-1/2,z |
3_445 |
5 |
1 |
185 |
75.3 |
-10.9 |
0.688 |
3 |
0 |
0 |
0.063 |
| 14 |
16 |
|
[SO4]A:203 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
8228 |
74.5 |
-10.0 |
0.789 |
3 |
0 |
0 |
0.058 |
| 15 |
17 |
|
[SO4]B:201 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
8228 |
73.4 |
-9.2 |
0.828 |
2 |
0 |
0 |
0.106 |
| 16 |
18 |
|
[SO4]B:208 |
5 |
1 |
184 |
f |
B |
-x+1/2,y-1/2,-z |
4_545 |
11 |
2 |
8228 |
73.1 |
-9.0 |
0.768 |
3 |
0 |
0 |
0.108 |
| 17 |
19 |
|
[SO4]B:204 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
8228 |
70.0 |
-9.6 |
0.778 |
3 |
0 |
0 |
0.056 |
| 18 |
20 |
|
[SO4]A:202 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
8228 |
69.9 |
-9.0 |
0.801 |
2 |
0 |
0 |
0.051 |
| 19 |
21 |
|
A |
13 |
3 |
8228 |
◊ |
[SO4]B:205 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
186 |
69.6 |
-8.0 |
0.827 |
2 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[SO4]A:201 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
8228 |
65.5 |
-8.2 |
0.797 |
2 |
0 |
0 |
0.047 |
| 21 |
23 |
|
[SO4]A:205 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
8228 |
65.2 |
-8.0 |
0.737 |
1 |
0 |
0 |
0.043 |
| 22 |
24 |
|
[SO4]B:203 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8228 |
62.4 |
-9.3 |
0.600 |
2 |
0 |
0 |
0.106 |
| 23 |
25 |
|
[SO4]B:209 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
8228 |
59.8 |
-8.4 |
0.695 |
3 |
0 |
0 |
0.101 |
| 24 |
26 |
|
[SO4]B:208 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
8228 |
57.1 |
-6.9 |
0.700 |
1 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[SO4]B:209 |
5 |
1 |
185 |
◊ |
B |
-x,y,-z |
2_555 |
4 |
2 |
8228 |
57.0 |
-6.7 |
0.856 |
1 |
0 |
0 |
0.075 |
| 26 |
28 |
|
[SO4]A:207 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
8228 |
54.5 |
-7.1 |
0.862 |
2 |
0 |
0 |
0.041 |
| 27 |
29 |
|
A |
8 |
3 |
8228 |
f |
[SO4]B:207 |
x-1/2,y-1/2,z |
3_445 |
5 |
1 |
183 |
54.2 |
-7.3 |
0.713 |
2 |
0 |
0 |
0.042 |
| 28 |
30 |
|
[SO4]A:205 |
5 |
1 |
184 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
10 |
4 |
8228 |
50.9 |
-6.4 |
0.758 |
2 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[SO4]A:204 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
8228 |
50.2 |
-6.1 |
0.521 |
0 |
0 |
0 |
0.055 |
| 30 |
32 |
|
[SO4]A:204 |
5 |
1 |
186 |
f |
[SO4]A:204 |
-x,y,-z |
2_555 |
5 |
1 |
186 |
48.2 |
-9.9 |
0.993 |
0 |
0 |
0 |
0.100 |
| 31 |
33 |
|
[SO4]A:207 |
4 |
1 |
186 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
8228 |
47.1 |
-5.0 |
0.924 |
2 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[SO4]B:207 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
8228 |
46.7 |
-5.8 |
0.782 |
1 |
0 |
0 |
0.032 |
| 33 |
35 |
|
[SO4]A:204 |
5 |
1 |
186 |
◊ |
B |
-x,y,-z |
2_555 |
11 |
6 |
8228 |
46.5 |
-5.9 |
0.475 |
0 |
0 |
0 |
0.052 |
| 34 |
36 |
|
[SO4]B:208 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
8228 |
46.3 |
-5.0 |
0.713 |
1 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[SO4]A:205 |
4 |
1 |
184 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
3 |
8228 |
45.7 |
-4.9 |
0.675 |
1 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[SO4]A:202 |
4 |
1 |
185 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
8228 |
42.6 |
-4.0 |
0.937 |
1 |
0 |
0 |
0.000 |
| 37 |
39 |
|
A |
6 |
3 |
8228 |
◊ |
[SO4]B:203 |
x-1/2,y-1/2,z |
3_445 |
4 |
1 |
185 |
42.1 |
-3.9 |
0.915 |
2 |
0 |
0 |
0.025 |
| 38 |
40 |
|
[SO4]B:201 |
4 |
1 |
184 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
2 |
8228 |
40.0 |
-3.5 |
0.920 |
1 |
0 |
0 |
0.000 |
| 39 |
41 |
|
A |
5 |
2 |
8228 |
◊ |
[SO4]B:202 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
186 |
39.3 |
-4.0 |
0.872 |
1 |
0 |
0 |
0.000 |
| 40 |
42 |
|
A |
3 |
1 |
8228 |
◊ |
[SO4]A:201 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
185 |
37.4 |
-3.6 |
0.951 |
2 |
0 |
0 |
0.000 |
| 41 |
43 |
|
B |
2 |
2 |
8228 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
4 |
2 |
8228 |
30.1 |
1.1 |
0.802 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
[SO4]A:207 |
4 |
1 |
186 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
8228 |
29.8 |
-2.7 |
0.931 |
1 |
0 |
0 |
0.000 |
| 43 |
45 |
|
[SO4]B:206 |
4 |
1 |
184 |
◊ |
B |
-x,y,-z |
2_555 |
5 |
2 |
8228 |
28.7 |
-3.4 |
0.841 |
1 |
0 |
0 |
0.041 |
| 44 |
46 |
|
[SO4]A:204 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8228 |
26.6 |
-1.7 |
0.965 |
2 |
0 |
0 |
0.012 |
| 45 |
47 |
|
[SO4]A:204 |
4 |
1 |
186 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
8228 |
25.1 |
-1.5 |
0.966 |
2 |
0 |
0 |
0.011 |
| 46 |
48 |
|
B |
5 |
2 |
8228 |
◊ |
[SO4]B:203 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
185 |
23.7 |
-2.5 |
0.816 |
0 |
0 |
0 |
0.000 |
| 47 |
49 |
|
[SO4]B:206 |
4 |
1 |
184 |
◊ |
[SO4]B:206 |
-x,y,-z |
2_555 |
4 |
1 |
184 |
21.4 |
-4.5 |
0.998 |
0 |
0 |
0 |
0.024 |
| 48 |
50 |
|
A |
4 |
2 |
8228 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
8228 |
21.3 |
0.5 |
0.753 |
0 |
0 |
0 |
0.000 |
| 49 |
51 |
|
[SO4]A:207 |
2 |
1 |
186 |
f |
[SO4]A:205 |
x,y,z |
1_555 |
3 |
1 |
184 |
18.5 |
-4.4 |
0.976 |
0 |
0 |
0 |
0.022 |
| 50 |
52 |
|
B |
1 |
1 |
8228 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
8228 |
10.4 |
0.3 |
0.791 |
0 |
0 |
0 |
0.000 |
| 51 |
53 |
|
[SO4]B:204 |
1 |
1 |
185 |
◊ |
[SO4]B:203 |
x,y,z |
1_555 |
1 |
1 |
185 |
2.5 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.003 |
| 52 |
54 |
|
[SO4]A:202 |
1 |
1 |
185 |
◊ |
[SO4]B:205 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
186 |
0.9 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
|