## |
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 |
|
A |
110 |
35 |
9253 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
120 |
37 |
9014 |
1098.5 |
-14.4 |
0.097 |
5 |
0 |
0 |
0.217 |
2 |
2 |
|
B |
43 |
13 |
9014 |
◊ |
A |
x,y,z |
1_555 |
46 |
14 |
9253 |
387.9 |
-2.1 |
0.471 |
2 |
0 |
0 |
0.000 |
3 |
|
A |
38 |
12 |
9253 |
◊ |
B |
x-1,y,z |
1_455 |
40 |
11 |
9014 |
354.7 |
-1.9 |
0.516 |
2 |
0 |
0 |
0.000 |
Average: |
371.3 |
-2.0 |
0.493 |
2 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
29 |
10 |
9014 |
◊ |
A |
x,y,z-1 |
1_554 |
30 |
9 |
9253 |
318.7 |
-0.4 |
0.667 |
5 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
15 |
5 |
9253 |
◊ |
B |
x-1,y,z+1 |
1_456 |
17 |
5 |
9014 |
156.0 |
-0.2 |
0.648 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[IPH]B:202 |
7 |
1 |
234 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
9014 |
147.6 |
5.8 |
0.496 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
[IPH]A:202 |
7 |
1 |
233 |
f |
A |
x,y,z |
1_555 |
26 |
13 |
9253 |
146.1 |
5.8 |
0.424 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[BME]B:206 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
21 |
5 |
9014 |
115.6 |
0.7 |
0.601 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[HED]A:209 |
7 |
1 |
314 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
9253 |
108.1 |
0.4 |
0.352 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[BME]A:208 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
9253 |
105.8 |
-0.2 |
0.466 |
1 |
0 |
0 |
0.008 |
10 |
11 |
|
[ACT]A:207 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
9253 |
102.3 |
-1.3 |
0.539 |
0 |
0 |
0 |
0.017 |
11 |
12 |
|
[BME]A:201 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
9253 |
97.0 |
-2.1 |
0.273 |
2 |
0 |
0 |
0.038 |
12 |
13 |
|
[HED]A:209 |
5 |
1 |
314 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
5 |
9014 |
86.3 |
2.3 |
0.597 |
1 |
0 |
0 |
0.000 |
13 |
14 |
|
[BME]B:201 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
9014 |
86.3 |
-1.7 |
0.341 |
1 |
0 |
0 |
0.027 |
14 |
15 |
|
[SO4]A:203 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
9253 |
85.6 |
-12.7 |
0.742 |
4 |
0 |
0 |
0.188 |
15 |
16 |
|
[BME]A:210 |
4 |
1 |
208 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
9253 |
82.1 |
2.8 |
0.681 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[ACT]B:205 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
9014 |
81.8 |
-0.2 |
0.683 |
2 |
0 |
0 |
0.014 |
17 |
18 |
|
A |
12 |
4 |
9253 |
◊ |
[BME]B:201 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
207 |
79.6 |
0.2 |
0.582 |
2 |
0 |
0 |
0.009 |
18 |
19 |
|
[SO4]B:204 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
9014 |
74.1 |
-9.5 |
0.928 |
4 |
0 |
0 |
0.147 |
19 |
20 |
|
[SO4]A:204 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9253 |
74.0 |
-9.0 |
0.958 |
4 |
0 |
0 |
0.140 |
20 |
21 |
|
[SO4]A:205 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9253 |
71.7 |
-8.9 |
0.947 |
3 |
0 |
0 |
0.134 |
21 |
22 |
|
[SO4]B:203 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
9014 |
69.6 |
-9.4 |
0.767 |
2 |
0 |
0 |
0.134 |
22 |
23 |
|
[ACT]A:206 |
3 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
9014 |
63.9 |
0.6 |
0.767 |
1 |
0 |
0 |
0.000 |
23 |
24 |
|
[BME]A:201 |
4 |
1 |
206 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
9 |
3 |
9014 |
59.8 |
0.3 |
0.407 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
B |
10 |
5 |
9014 |
◊ |
[BME]A:208 |
x,y,z-1 |
1_554 |
3 |
1 |
208 |
57.7 |
0.3 |
0.600 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[BME]A:210 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
9014 |
53.3 |
-1.7 |
0.381 |
2 |
0 |
0 |
0.033 |
26 |
27 |
|
B |
5 |
2 |
9014 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
9014 |
48.9 |
-0.3 |
0.441 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[SO4]A:204 |
4 |
1 |
186 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
1 |
9014 |
45.0 |
-5.8 |
0.636 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[ACT]A:206 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
9253 |
42.0 |
-0.2 |
0.698 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
[SO4]A:205 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9014 |
33.7 |
-4.1 |
0.198 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
B |
5 |
3 |
9014 |
◊ |
[ACT]A:207 |
x,y,z-1 |
1_554 |
3 |
1 |
182 |
32.5 |
-0.0 |
0.682 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[ACT]A:206 |
1 |
1 |
181 |
f |
[SO4]B:203 |
x,y,z |
1_555 |
2 |
1 |
185 |
24.1 |
-3.4 |
0.693 |
0 |
0 |
0 |
0.044 |
32 |
33 |
|
B |
2 |
1 |
9014 |
◊ |
[SO4]A:203 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
23.3 |
-1.6 |
0.976 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[SO4]A:205 |
1 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
9253 |
9.9 |
-1.0 |
0.834 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[ACT]A:207 |
1 |
1 |
182 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
9014 |
7.6 |
0.2 |
0.637 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[SO4]B:203 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9253 |
3.1 |
-0.3 |
0.872 |
0 |
0 |
0 |
0.000 |
|