| ## |
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 |
125 |
34 |
10221 |
◊ |
A |
x,y,z |
1_555 |
123 |
34 |
10533 |
1158.3 |
-6.2 |
0.303 |
10 |
11 |
0 |
0.165 |
2 |
|
D |
125 |
34 |
10385 |
◊ |
C |
x,y,z |
1_555 |
118 |
33 |
10468 |
1148.8 |
-9.1 |
0.217 |
16 |
9 |
0 |
0.165 |
| Average: |
1153.6 |
-7.7 |
0.260 |
13 |
10 |
0 |
0.165 |
| 2 |
3 |
|
D |
101 |
30 |
10385 |
◊ |
B |
x,y,z |
1_555 |
106 |
30 |
10221 |
986.7 |
1.2 |
0.728 |
22 |
0 |
0 |
0.080 |
4 |
|
C |
99 |
29 |
10468 |
◊ |
A |
x,y,z |
1_555 |
105 |
31 |
10533 |
983.8 |
1.5 |
0.735 |
21 |
0 |
0 |
0.080 |
| Average: |
985.2 |
1.3 |
0.732 |
22 |
0 |
0 |
0.080 |
| 3 |
5 |
|
A |
50 |
17 |
10533 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
45 |
13 |
10468 |
425.0 |
-1.6 |
0.481 |
5 |
2 |
0 |
0.018 |
| 4 |
6 |
|
C |
34 |
10 |
10468 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
44 |
14 |
10385 |
329.7 |
-8.0 |
0.019 |
0 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
30 |
11 |
10533 |
x |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
24 |
9 |
10533 |
226.6 |
2.1 |
0.792 |
4 |
2 |
0 |
0.000 |
| 6 |
8 |
|
B |
28 |
9 |
10221 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
29 |
9 |
10385 |
220.0 |
-1.7 |
0.264 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
20 |
7 |
10533 |
◊ |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
21 |
7 |
10385 |
217.8 |
-1.9 |
0.322 |
2 |
0 |
0 |
0.012 |
| 8 |
10 |
|
[SO3]D:305 |
4 |
1 |
172 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
10385 |
90.7 |
-1.6 |
0.216 |
2 |
0 |
0 |
0.023 |
| 9 |
11 |
|
[SO4]C:303 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
10 |
10468 |
90.5 |
-12.8 |
0.751 |
1 |
0 |
0 |
0.132 |
| 10 |
12 |
|
[SO3]C:305 |
4 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
10468 |
80.0 |
-0.0 |
0.337 |
2 |
0 |
0 |
0.009 |
| 11 |
13 |
|
[SO4]C:301 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
10468 |
77.9 |
-11.0 |
0.694 |
1 |
0 |
0 |
0.113 |
| 12 |
14 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
10221 |
77.7 |
-10.4 |
0.714 |
1 |
0 |
0 |
0.107 |
| 13 |
15 |
|
[SO3]A:304 |
4 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
10533 |
77.0 |
-0.9 |
0.343 |
1 |
0 |
0 |
0.014 |
| 14 |
16 |
|
[SO3]B:305 |
4 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
10221 |
72.3 |
-1.3 |
0.314 |
1 |
0 |
0 |
0.017 |
| 15 |
17 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
10221 |
71.4 |
-10.4 |
0.656 |
2 |
0 |
0 |
0.111 |
| 16 |
18 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
10533 |
70.1 |
-9.7 |
0.461 |
2 |
0 |
0 |
0.105 |
| 17 |
19 |
|
[SO4]D:302 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
10385 |
68.8 |
-9.6 |
0.754 |
2 |
0 |
0 |
0.098 |
| 18 |
20 |
|
[SO4]A:301 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
10533 |
68.0 |
-8.4 |
0.837 |
2 |
0 |
0 |
0.092 |
| 19 |
21 |
|
[SO4]D:302 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
10221 |
65.4 |
-8.7 |
0.644 |
0 |
0 |
0 |
0.081 |
| 20 |
22 |
|
[SO4]A:305 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
10533 |
63.3 |
-8.6 |
0.755 |
1 |
0 |
0 |
0.090 |
| 21 |
23 |
|
[SO4]D:301 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
10385 |
61.7 |
-8.6 |
0.745 |
2 |
0 |
0 |
0.089 |
| 22 |
24 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
10221 |
60.3 |
-7.9 |
0.757 |
2 |
0 |
0 |
0.087 |
| 23 |
25 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
10533 |
58.8 |
-7.6 |
0.709 |
1 |
0 |
0 |
0.080 |
| 24 |
26 |
|
[SO4]D:304 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
10385 |
58.7 |
-8.4 |
0.669 |
1 |
0 |
0 |
0.082 |
| 25 |
27 |
|
[SO4]D:303 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
10385 |
57.8 |
-8.0 |
0.570 |
1 |
0 |
0 |
0.079 |
| 26 |
28 |
|
[SO4]C:302 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
10468 |
57.5 |
-8.1 |
0.469 |
1 |
0 |
0 |
0.085 |
| 27 |
29 |
|
[SO4]C:304 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
10468 |
56.9 |
-7.3 |
0.743 |
2 |
0 |
0 |
0.081 |
| 28 |
30 |
|
[SO4]A:301 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
10468 |
55.9 |
-7.6 |
0.672 |
1 |
0 |
0 |
0.080 |
| 29 |
31 |
|
A |
8 |
3 |
10533 |
◊ |
[SO4]C:303 |
-x-1,y-1/2,-z-1/2 |
3_444 |
4 |
1 |
185 |
55.3 |
-6.4 |
0.814 |
0 |
0 |
0 |
0.029 |
| 30 |
32 |
|
[SO4]B:302 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
10385 |
54.9 |
-7.6 |
0.633 |
1 |
0 |
0 |
0.075 |
| 31 |
33 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
10221 |
52.5 |
-7.5 |
0.403 |
1 |
0 |
0 |
0.078 |
| 32 |
34 |
|
[SO3]C:305 |
3 |
1 |
172 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
10385 |
44.6 |
-1.3 |
0.372 |
0 |
0 |
0 |
0.012 |
| 33 |
35 |
|
[SO4]D:301 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
4 |
10468 |
40.1 |
-5.5 |
0.644 |
0 |
0 |
0 |
0.052 |
| 34 |
36 |
|
[SO4]A:305 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
10221 |
39.7 |
-5.0 |
0.552 |
0 |
0 |
0 |
0.049 |
| 35 |
37 |
|
[SO4]B:301 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
10533 |
37.3 |
-5.3 |
0.655 |
0 |
0 |
0 |
0.052 |
| 36 |
38 |
|
[SO4]C:301 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
10533 |
36.1 |
-4.4 |
0.809 |
1 |
0 |
0 |
0.048 |
| 37 |
39 |
|
[SO3]D:305 |
4 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
10468 |
33.6 |
-0.3 |
0.411 |
0 |
0 |
0 |
0.002 |
| 38 |
40 |
|
[SO3]B:305 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10533 |
32.3 |
-0.2 |
0.240 |
0 |
0 |
0 |
0.002 |
| 39 |
41 |
|
[SO3]A:304 |
1 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10221 |
24.6 |
0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
C |
1 |
1 |
10468 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10221 |
7.5 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
43 |
|
D |
1 |
1 |
10385 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10533 |
6.9 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
| Average: |
7.2 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
| 41 |
44 |
|
B |
1 |
1 |
10221 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
10468 |
1.0 |
-0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
| 42 |
45 |
|
[SO4]D:302 |
1 |
1 |
184 |
◊ |
[SO4]B:302 |
x,y,z |
1_555 |
1 |
1 |
186 |
0.4 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|