| ## |
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 |
|
C |
160 |
46 |
12426 |
◊ |
A |
x,y,z |
1_555 |
182 |
47 |
12791 |
1536.2 |
-20.6 |
0.154 |
19 |
4 |
0 |
0.329 |
2 |
|
C |
180 |
45 |
12426 |
◊ |
B |
x,y,z |
1_555 |
158 |
46 |
12486 |
1529.1 |
-21.0 |
0.121 |
21 |
4 |
0 |
0.329 |
3 |
|
B |
173 |
42 |
12486 |
◊ |
A |
x,y,z |
1_555 |
155 |
46 |
12791 |
1487.1 |
-22.1 |
0.057 |
14 |
2 |
0 |
0.329 |
| Average: |
1517.5 |
-21.2 |
0.111 |
18 |
3 |
0 |
0.329 |
| 2 |
4 |
|
A |
23 |
8 |
12791 |
x |
A |
x-1/2,-y+3/2,-z |
4_465 |
18 |
7 |
12791 |
175.3 |
2.8 |
0.935 |
2 |
0 |
0 |
0.000 |
5 |
|
C |
20 |
7 |
12426 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
20 |
7 |
12486 |
172.8 |
2.1 |
0.911 |
1 |
0 |
0 |
0.000 |
| Average: |
174.1 |
2.4 |
0.923 |
2 |
0 |
0 |
0.000 |
| 3 |
6 |
|
A |
13 |
4 |
12791 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
5 |
12486 |
138.8 |
-0.5 |
0.609 |
1 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
13 |
6 |
12486 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
14 |
4 |
12791 |
126.6 |
-1.1 |
0.500 |
0 |
0 |
0 |
0.000 |
8 |
|
A |
13 |
6 |
12791 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
16 |
4 |
12426 |
125.6 |
-1.2 |
0.538 |
0 |
0 |
0 |
0.000 |
9 |
|
C |
12 |
5 |
12426 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
16 |
4 |
12486 |
125.3 |
-1.3 |
0.509 |
0 |
0 |
0 |
0.000 |
| Average: |
125.8 |
-1.2 |
0.516 |
0 |
0 |
0 |
0.000 |
| 5 |
10 |
|
[SO4]A:319 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
12791 |
107.9 |
-14.5 |
0.903 |
4 |
0 |
0 |
0.060 |
| 6 |
11 |
|
B |
10 |
3 |
12486 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
3 |
12426 |
96.3 |
-0.2 |
0.660 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
10 |
3 |
12791 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
3 |
12486 |
92.5 |
-0.0 |
0.682 |
0 |
0 |
0 |
0.000 |
13 |
|
C |
11 |
4 |
12426 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
12 |
4 |
12791 |
92.3 |
0.2 |
0.741 |
1 |
0 |
0 |
0.000 |
| Average: |
93.7 |
-0.0 |
0.694 |
0 |
0 |
0 |
0.000 |
| 7 |
14 |
|
[SO4]A:315 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
12791 |
92.7 |
-13.1 |
0.854 |
5 |
0 |
0 |
0.057 |
| 8 |
15 |
|
[SO4]C:314 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
12426 |
91.1 |
-12.9 |
0.875 |
5 |
0 |
0 |
0.056 |
| 9 |
16 |
|
[SO4]B:315 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
12486 |
90.5 |
-12.7 |
0.851 |
5 |
0 |
0 |
0.055 |
| 10 |
17 |
|
[EDO]A:313 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
12791 |
90.1 |
2.6 |
0.473 |
1 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[EDO]B:313 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
7 |
12486 |
89.9 |
2.4 |
0.470 |
2 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[EDO]C:317 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
12426 |
84.1 |
2.1 |
0.281 |
3 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[EDO]A:324 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
12791 |
82.2 |
2.2 |
0.300 |
1 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[EDO]A:321 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12791 |
81.8 |
1.3 |
0.684 |
3 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[SO4]C:313 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12426 |
76.8 |
-11.8 |
0.751 |
3 |
0 |
0 |
0.049 |
| 16 |
23 |
|
[SO4]B:314 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12486 |
76.2 |
-11.7 |
0.743 |
3 |
0 |
0 |
0.048 |
| 17 |
24 |
|
[SO4]A:314 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12791 |
74.9 |
-11.5 |
0.724 |
3 |
0 |
0 |
0.047 |
| 18 |
25 |
|
[EDO]A:324 |
4 |
1 |
185 |
f |
A |
x-1/2,-y+3/2,-z |
4_465 |
10 |
4 |
12791 |
68.7 |
1.9 |
0.840 |
1 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[SO4]A:316 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12791 |
63.5 |
-9.4 |
0.696 |
1 |
0 |
0 |
0.036 |
| 20 |
27 |
|
A |
5 |
1 |
12791 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
7 |
4 |
12486 |
63.4 |
-0.6 |
0.436 |
1 |
0 |
0 |
0.000 |
28 |
|
C |
2 |
1 |
12426 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
3 |
3 |
12426 |
26.7 |
-0.8 |
0.228 |
0 |
0 |
0 |
0.000 |
| Average: |
45.1 |
-0.7 |
0.332 |
1 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[SO4]C:316 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
12426 |
62.6 |
-7.2 |
0.948 |
3 |
0 |
0 |
0.032 |
| 22 |
30 |
|
[EDO]C:317 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
12791 |
62.5 |
1.2 |
0.231 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[SO4]C:315 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
12426 |
58.8 |
-8.4 |
0.631 |
1 |
0 |
0 |
0.033 |
| 24 |
32 |
|
[SO4]A:317 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12791 |
58.7 |
-8.0 |
0.630 |
2 |
0 |
0 |
0.033 |
| 25 |
33 |
|
[SO4]A:314 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
8 |
12486 |
58.0 |
-7.7 |
0.771 |
0 |
0 |
0 |
0.028 |
| 26 |
34 |
|
[SO4]B:317 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
12486 |
58.0 |
-7.9 |
0.628 |
1 |
0 |
0 |
0.031 |
| 27 |
35 |
|
[SO4]B:316 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12486 |
56.9 |
-8.1 |
0.619 |
1 |
0 |
0 |
0.032 |
| 28 |
36 |
|
[SO4]C:313 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
12791 |
55.5 |
-7.4 |
0.763 |
0 |
0 |
0 |
0.027 |
| 29 |
37 |
|
[SO4]B:314 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
11 |
7 |
12426 |
55.4 |
-7.2 |
0.785 |
0 |
0 |
0 |
0.027 |
| 30 |
38 |
|
[EDO]A:320 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
12791 |
55.3 |
2.2 |
0.954 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[SO4]A:318 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
12791 |
50.2 |
-6.1 |
0.924 |
1 |
0 |
0 |
0.024 |
| 32 |
40 |
|
A |
6 |
2 |
12791 |
f |
[EDO]A:320 |
x-1/2,-y+3/2,-z |
4_465 |
4 |
1 |
185 |
48.7 |
1.7 |
0.896 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
[SO4]A:318 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
12426 |
46.7 |
-5.6 |
0.735 |
0 |
0 |
0 |
0.021 |
| 34 |
42 |
|
[SO4]B:316 |
3 |
1 |
185 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
12791 |
35.6 |
-3.9 |
0.897 |
1 |
0 |
0 |
0.000 |
| 35 |
43 |
|
[SO4]C:315 |
2 |
1 |
186 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
12486 |
32.3 |
-4.0 |
0.926 |
1 |
0 |
0 |
0.000 |
| 36 |
44 |
|
[SO4]A:316 |
3 |
1 |
187 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
12426 |
29.7 |
-3.4 |
0.961 |
1 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[EDO]B:313 |
1 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
12791 |
23.5 |
-0.2 |
0.330 |
0 |
0 |
0 |
0.000 |
| 38 |
46 |
|
[EDO]A:313 |
1 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
12426 |
23.3 |
-0.2 |
0.349 |
0 |
0 |
0 |
0.000 |
| 39 |
47 |
|
C |
2 |
1 |
12426 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
12486 |
13.4 |
-0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
| 40 |
48 |
|
[SO4]A:316 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12486 |
6.1 |
-0.8 |
0.515 |
0 |
0 |
0 |
0.003 |
| 41 |
49 |
|
[SO4]C:315 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12791 |
4.2 |
-0.6 |
0.618 |
0 |
0 |
0 |
0.002 |
| 42 |
50 |
|
[SO4]B:316 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
12426 |
3.7 |
-0.5 |
0.774 |
0 |
0 |
0 |
0.002 |
|