| ## |
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 |
51 |
17 |
7020 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
58 |
18 |
7044 |
485.6 |
-8.1 |
0.133 |
3 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
46 |
15 |
7020 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
7044 |
331.1 |
0.1 |
0.707 |
8 |
6 |
0 |
0.000 |
| 3 |
3 |
|
[STE]A:201 |
20 |
1 |
599 |
◊ |
A |
x,y,z |
1_555 |
44 |
19 |
7044 |
297.4 |
2.9 |
0.401 |
2 |
0 |
0 |
0.000 |
4 |
|
[STE]B:203 |
20 |
1 |
600 |
◊ |
B |
x,y,z |
1_555 |
48 |
20 |
7020 |
285.7 |
3.4 |
0.404 |
2 |
0 |
0 |
0.000 |
| Average: |
291.6 |
3.2 |
0.403 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[STE]A:205 |
20 |
1 |
582 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
7044 |
240.5 |
1.3 |
0.346 |
0 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[STE]B:206 |
19 |
1 |
577 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
7020 |
230.5 |
1.5 |
0.308 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[STE]A:202 |
16 |
1 |
502 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
7044 |
226.9 |
1.6 |
0.256 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
28 |
9 |
7044 |
x |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
27 |
10 |
7044 |
220.8 |
-0.7 |
0.615 |
3 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
17 |
6 |
7020 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
22 |
9 |
7020 |
202.6 |
0.5 |
0.699 |
2 |
1 |
0 |
0.000 |
| 9 |
10 |
|
[STE]B:204 |
11 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
32 |
12 |
7020 |
198.7 |
5.4 |
0.165 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
B |
16 |
5 |
7020 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
20 |
7 |
7044 |
142.0 |
0.6 |
0.583 |
2 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[STE]B:203 |
11 |
1 |
600 |
f |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
20 |
7 |
7044 |
140.7 |
-3.2 |
0.072 |
0 |
0 |
0 |
0.011 |
13 |
|
B |
20 |
7 |
7020 |
f |
[STE]A:201 |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
1 |
599 |
139.3 |
-3.4 |
0.067 |
0 |
0 |
0 |
0.011 |
| Average: |
140.0 |
-3.3 |
0.070 |
0 |
0 |
0 |
0.011 |
| 12 |
14 |
|
[STE]A:205 |
14 |
1 |
582 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
7020 |
139.9 |
2.8 |
0.496 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[STE]B:206 |
11 |
1 |
577 |
◊ |
[STE]A:205 |
x,y,z |
1_555 |
13 |
1 |
582 |
138.6 |
7.4 |
0.721 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[STE]B:206 |
13 |
1 |
577 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
7044 |
135.6 |
2.9 |
0.534 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
B |
12 |
4 |
7020 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
7044 |
102.2 |
0.1 |
0.630 |
2 |
1 |
0 |
0.000 |
| 16 |
18 |
|
B |
14 |
6 |
7020 |
◊ |
[STE]A:202 |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
1 |
502 |
101.2 |
-2.2 |
0.056 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[SO4]A:304 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7044 |
92.5 |
-12.5 |
0.865 |
4 |
0 |
0 |
0.050 |
| 18 |
20 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
7020 |
90.7 |
-11.6 |
0.888 |
3 |
0 |
0 |
0.042 |
| 19 |
21 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
7020 |
86.2 |
-11.3 |
0.856 |
2 |
0 |
0 |
0.040 |
| 20 |
22 |
|
[SO4]A:305 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7044 |
86.1 |
-12.0 |
0.806 |
3 |
0 |
0 |
0.046 |
| 21 |
23 |
|
[STE]A:202 |
8 |
1 |
502 |
◊ |
[STE]A:201 |
x,y,z |
1_555 |
10 |
1 |
599 |
73.3 |
4.2 |
0.470 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
B |
7 |
3 |
7020 |
f |
[SO4]A:302 |
x-1,y,z |
1_455 |
5 |
1 |
186 |
69.1 |
-8.7 |
0.883 |
2 |
0 |
0 |
0.031 |
| 23 |
25 |
|
[SO4]A:302 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
7044 |
65.4 |
-8.4 |
0.879 |
2 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[STE]B:204 |
6 |
1 |
362 |
◊ |
[STE]B:203 |
x,y,z |
1_555 |
8 |
1 |
600 |
61.1 |
3.6 |
0.642 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
B |
10 |
3 |
7020 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
7044 |
58.3 |
-0.8 |
0.465 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[STE]B:204 |
2 |
1 |
362 |
c |
[STE]A:202 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
502 |
45.1 |
1.0 |
0.207 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
B |
4 |
2 |
7020 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
7044 |
44.2 |
2.2 |
0.920 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[STE]B:203 |
7 |
1 |
600 |
◊ |
[STE]A:202 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
502 |
31.9 |
0.4 |
0.164 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[STE]B:204 |
2 |
1 |
362 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
7044 |
20.4 |
0.4 |
0.279 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[STE]B:206 |
2 |
1 |
577 |
f |
[SO4]A:304 |
x,y,z |
1_555 |
2 |
1 |
186 |
5.6 |
-0.8 |
0.480 |
0 |
0 |
0 |
0.003 |
| 31 |
33 |
|
[STE]A:205 |
2 |
1 |
582 |
f |
[SO4]B:303 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.5 |
-0.8 |
0.460 |
0 |
0 |
0 |
0.003 |
|