## |
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 |
123 |
35 |
10361 |
◊ |
A |
x,y,z |
1_555 |
133 |
34 |
10546 |
1211.9 |
-5.4 |
0.351 |
16 |
12 |
0 |
0.154 |
2 |
|
D |
128 |
35 |
10448 |
◊ |
C |
x,y,z |
1_555 |
123 |
34 |
10452 |
1183.9 |
-5.1 |
0.387 |
15 |
11 |
0 |
0.154 |
Average: |
1197.9 |
-5.3 |
0.369 |
16 |
12 |
0 |
0.154 |
2 |
3 |
|
D |
100 |
28 |
10448 |
◊ |
B |
x,y,z |
1_555 |
100 |
29 |
10361 |
955.9 |
0.8 |
0.649 |
23 |
0 |
0 |
0.094 |
4 |
|
C |
100 |
29 |
10452 |
◊ |
A |
x,y,z |
1_555 |
101 |
29 |
10546 |
931.1 |
-0.4 |
0.639 |
20 |
0 |
0 |
0.094 |
Average: |
943.5 |
0.2 |
0.644 |
22 |
0 |
0 |
0.094 |
3 |
5 |
|
A |
37 |
13 |
10546 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
44 |
13 |
10452 |
388.9 |
-0.8 |
0.540 |
4 |
1 |
0 |
0.001 |
4 |
6 |
|
C |
36 |
9 |
10452 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
45 |
14 |
10448 |
341.3 |
-7.4 |
0.029 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
28 |
12 |
10546 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
25 |
9 |
10546 |
235.0 |
3.4 |
0.859 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
25 |
6 |
10361 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
30 |
10 |
10448 |
232.0 |
-2.6 |
0.209 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
23 |
7 |
10546 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
22 |
8 |
10448 |
200.4 |
-1.6 |
0.363 |
3 |
0 |
0 |
0.001 |
8 |
10 |
|
[SO4]C:303 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
10452 |
81.5 |
-11.7 |
0.701 |
1 |
0 |
0 |
0.123 |
9 |
11 |
|
[SO4]C:301 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
10452 |
81.2 |
-10.5 |
0.860 |
3 |
0 |
0 |
0.121 |
10 |
12 |
|
[SO4]A:301 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
10452 |
72.9 |
-9.7 |
0.745 |
1 |
0 |
0 |
0.103 |
11 |
13 |
|
[SO4]D:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10361 |
72.1 |
-8.9 |
0.859 |
2 |
0 |
0 |
0.105 |
12 |
14 |
|
[SO3]A:304 |
3 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
10546 |
71.2 |
-1.1 |
0.489 |
0 |
0 |
0 |
0.012 |
13 |
15 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
10361 |
69.3 |
-9.5 |
0.785 |
2 |
0 |
0 |
0.111 |
14 |
16 |
|
[SO4]A:305 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
10546 |
67.4 |
-9.7 |
0.718 |
0 |
0 |
0 |
0.104 |
15 |
17 |
|
[SO4]A:301 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
10546 |
67.3 |
-9.3 |
0.653 |
1 |
0 |
0 |
0.099 |
16 |
18 |
|
[SO4]D:303 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
10448 |
67.2 |
-8.6 |
0.872 |
2 |
0 |
0 |
0.093 |
17 |
19 |
|
[SO4]D:305 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
10448 |
66.5 |
-8.7 |
0.809 |
2 |
0 |
0 |
0.094 |
18 |
20 |
|
[SO4]D:302 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
10448 |
66.1 |
-9.1 |
0.729 |
2 |
0 |
0 |
0.099 |
19 |
21 |
|
[SO4]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
10361 |
65.3 |
-9.2 |
0.717 |
1 |
0 |
0 |
0.104 |
20 |
22 |
|
[SO4]A:302 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
10546 |
64.9 |
-9.4 |
0.561 |
1 |
0 |
0 |
0.106 |
21 |
23 |
|
[SO4]D:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
10361 |
64.5 |
-8.3 |
0.702 |
1 |
0 |
0 |
0.083 |
22 |
24 |
|
[SO3]C:304 |
4 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
10452 |
63.2 |
0.1 |
0.494 |
1 |
0 |
0 |
0.003 |
23 |
25 |
|
[SO4]A:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
10546 |
62.7 |
-9.0 |
0.659 |
1 |
0 |
0 |
0.102 |
24 |
26 |
|
[SO4]D:304 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
10448 |
61.3 |
-8.2 |
0.592 |
2 |
0 |
0 |
0.090 |
25 |
27 |
|
A |
8 |
4 |
10546 |
◊ |
[SO4]C:303 |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
1 |
186 |
60.5 |
-7.7 |
0.767 |
0 |
0 |
0 |
0.004 |
26 |
28 |
|
[SO4]D:301 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
10448 |
59.1 |
-7.9 |
0.703 |
1 |
0 |
0 |
0.080 |
27 |
29 |
|
[SO3]A:306 |
3 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
10361 |
58.7 |
-0.6 |
0.556 |
0 |
0 |
0 |
0.007 |
28 |
30 |
|
[SO4]C:302 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
10452 |
58.6 |
-8.1 |
0.545 |
1 |
0 |
0 |
0.086 |
29 |
31 |
|
B |
9 |
3 |
10361 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
10452 |
58.2 |
1.3 |
0.695 |
1 |
0 |
0 |
0.000 |
30 |
32 |
|
[SO4]B:302 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
10361 |
56.4 |
-7.8 |
0.448 |
1 |
0 |
0 |
0.089 |
31 |
33 |
|
[SO4]C:301 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
10546 |
48.7 |
-6.7 |
0.631 |
0 |
0 |
0 |
0.068 |
32 |
34 |
|
[SO3]D:306 |
3 |
1 |
172 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
10448 |
43.2 |
-0.5 |
0.612 |
0 |
0 |
0 |
0.005 |
33 |
35 |
|
[SO4]A:305 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
10361 |
40.2 |
-4.8 |
0.463 |
0 |
0 |
0 |
0.052 |
34 |
36 |
|
[SO3]A:306 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
10546 |
39.1 |
-0.4 |
0.238 |
0 |
0 |
0 |
0.004 |
35 |
37 |
|
[SO4]B:301 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10546 |
38.7 |
-4.8 |
0.536 |
0 |
0 |
0 |
0.051 |
36 |
38 |
|
[SO3]C:304 |
3 |
1 |
172 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
10448 |
37.3 |
-1.4 |
0.263 |
0 |
0 |
0 |
0.014 |
37 |
39 |
|
[SO4]D:302 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
10452 |
36.5 |
-4.8 |
0.594 |
0 |
0 |
0 |
0.047 |
38 |
40 |
|
[SO3]D:306 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
10452 |
34.2 |
-0.2 |
0.287 |
0 |
0 |
0 |
0.002 |
39 |
41 |
|
C |
2 |
1 |
10452 |
◊ |
[SO3]D:306 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
172 |
15.3 |
0.2 |
0.604 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
A |
1 |
1 |
10546 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
10361 |
14.6 |
-0.2 |
0.299 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
B |
3 |
1 |
10361 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
10546 |
10.2 |
0.4 |
0.786 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
D |
1 |
1 |
10448 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10546 |
8.5 |
0.2 |
0.825 |
0 |
0 |
0 |
0.000 |
45 |
|
C |
1 |
1 |
10452 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10361 |
6.6 |
0.1 |
0.816 |
0 |
0 |
0 |
0.000 |
Average: |
7.5 |
0.2 |
0.821 |
0 |
0 |
0 |
0.000 |
|