| ## |
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 |
|
D |
141 |
38 |
10368 |
◊ |
C |
x,y,z |
1_555 |
127 |
33 |
10512 |
1197.8 |
-7.1 |
0.312 |
11 |
12 |
0 |
0.168 |
2 |
|
B |
134 |
36 |
10225 |
◊ |
A |
x,y,z |
1_555 |
128 |
33 |
10425 |
1149.6 |
-9.7 |
0.225 |
9 |
9 |
0 |
0.168 |
| Average: |
1173.7 |
-8.4 |
0.269 |
10 |
11 |
0 |
0.168 |
| 2 |
3 |
|
D |
101 |
26 |
10368 |
◊ |
B |
x,y,z |
1_555 |
102 |
30 |
10225 |
944.8 |
-2.4 |
0.540 |
13 |
0 |
0 |
0.112 |
4 |
|
C |
97 |
28 |
10512 |
◊ |
A |
x,y,z |
1_555 |
99 |
28 |
10425 |
911.7 |
-4.8 |
0.377 |
12 |
0 |
0 |
0.112 |
| Average: |
928.3 |
-3.6 |
0.458 |
13 |
0 |
0 |
0.112 |
| 3 |
5 |
|
C |
42 |
12 |
10512 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
47 |
16 |
10425 |
415.6 |
-2.0 |
0.441 |
5 |
2 |
0 |
0.024 |
| 4 |
6 |
|
D |
45 |
15 |
10368 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
37 |
8 |
10512 |
384.2 |
-4.5 |
0.113 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
D |
29 |
11 |
10368 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
27 |
7 |
10425 |
280.4 |
-4.6 |
0.068 |
3 |
0 |
0 |
0.032 |
| 6 |
8 |
|
A |
22 |
8 |
10425 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
9 |
10425 |
218.7 |
1.8 |
0.776 |
4 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
20 |
4 |
10225 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
21 |
6 |
10368 |
178.0 |
-1.8 |
0.347 |
1 |
2 |
0 |
0.000 |
| 8 |
10 |
|
[SO4]C:303 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
20 |
11 |
10512 |
95.1 |
-14.5 |
0.759 |
1 |
0 |
0 |
0.179 |
| 9 |
11 |
|
[SO3]A:304 |
4 |
1 |
173 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
10425 |
92.2 |
-0.5 |
0.435 |
1 |
0 |
0 |
0.011 |
| 10 |
12 |
|
[SO4]B:302 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
10225 |
81.8 |
-11.9 |
0.799 |
2 |
0 |
0 |
0.156 |
| 11 |
13 |
|
[SO4]C:301 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
10512 |
80.9 |
-11.0 |
0.849 |
2 |
0 |
0 |
0.143 |
| 12 |
14 |
|
[SO4]A:301 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10425 |
75.1 |
-10.2 |
0.689 |
4 |
0 |
0 |
0.133 |
| 13 |
15 |
|
[SO4]D:301 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
10368 |
75.1 |
-10.7 |
0.517 |
1 |
0 |
0 |
0.136 |
| 14 |
16 |
|
[SO3]C:304 |
4 |
1 |
172 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
10512 |
72.3 |
-1.2 |
0.474 |
0 |
0 |
0 |
0.014 |
| 15 |
17 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10225 |
69.9 |
-9.3 |
0.867 |
2 |
0 |
0 |
0.124 |
| 16 |
18 |
|
[SO4]A:305 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10425 |
65.5 |
-8.9 |
0.766 |
2 |
0 |
0 |
0.109 |
| 17 |
19 |
|
[SO4]C:302 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
10512 |
59.2 |
-8.3 |
0.469 |
1 |
0 |
0 |
0.104 |
| 18 |
20 |
|
[SO4]D:302 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
10368 |
58.8 |
-7.9 |
0.557 |
2 |
0 |
0 |
0.108 |
| 19 |
21 |
|
[SO4]A:301 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
10512 |
57.8 |
-6.4 |
0.941 |
2 |
0 |
0 |
0.081 |
| 20 |
22 |
|
[SO4]D:301 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
10225 |
57.3 |
-7.6 |
0.798 |
1 |
0 |
0 |
0.098 |
| 21 |
23 |
|
[SO4]C:305 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
10368 |
54.6 |
-7.1 |
0.714 |
1 |
0 |
0 |
0.092 |
| 22 |
24 |
|
[SO4]B:301 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10225 |
54.5 |
-7.5 |
0.741 |
1 |
0 |
0 |
0.097 |
| 23 |
25 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
10425 |
50.6 |
-6.8 |
0.743 |
2 |
0 |
0 |
0.085 |
| 24 |
26 |
|
[SO3]B:304 |
4 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
10225 |
48.8 |
0.8 |
0.728 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[SO4]B:302 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
10368 |
47.2 |
-5.6 |
0.826 |
1 |
0 |
0 |
0.074 |
| 26 |
28 |
|
[SO4]B:301 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10425 |
38.1 |
-4.7 |
0.634 |
0 |
0 |
0 |
0.053 |
| 27 |
29 |
|
[SO3]C:304 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
10368 |
37.9 |
-0.9 |
0.279 |
0 |
0 |
0 |
0.011 |
| 28 |
30 |
|
[SO4]C:305 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
10512 |
36.3 |
-4.4 |
0.432 |
0 |
0 |
0 |
0.053 |
| 29 |
31 |
|
[SO4]C:303 |
4 |
1 |
186 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
3 |
10425 |
34.6 |
-3.6 |
0.857 |
0 |
0 |
0 |
0.019 |
| 30 |
32 |
|
[SO4]A:302 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
10425 |
31.4 |
-4.2 |
0.644 |
0 |
0 |
0 |
0.047 |
| 31 |
33 |
|
[SO4]A:305 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
10225 |
29.7 |
-3.9 |
0.447 |
0 |
0 |
0 |
0.043 |
| 32 |
34 |
|
[SO3]A:304 |
2 |
1 |
173 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
10225 |
20.6 |
-1.0 |
0.353 |
0 |
0 |
0 |
0.013 |
| 33 |
35 |
|
[SO4]C:301 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
10425 |
18.9 |
-2.5 |
0.647 |
0 |
0 |
0 |
0.028 |
| 34 |
36 |
|
[SO3]B:304 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
10425 |
17.6 |
-0.3 |
0.420 |
0 |
0 |
0 |
0.004 |
| 35 |
37 |
|
A |
3 |
1 |
10425 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
10368 |
12.7 |
-0.4 |
0.274 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
C |
1 |
1 |
10512 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10225 |
5.3 |
0.1 |
0.809 |
0 |
0 |
0 |
0.000 |
39 |
|
D |
1 |
1 |
10368 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10425 |
3.7 |
0.1 |
0.779 |
0 |
0 |
0 |
0.000 |
| Average: |
4.5 |
0.1 |
0.794 |
0 |
0 |
0 |
0.000 |
| 37 |
40 |
|
C |
1 |
1 |
10512 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
10225 |
3.5 |
-0.1 |
0.344 |
0 |
0 |
0 |
0.000 |
|