| ## |
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 |
42 |
14 |
7338 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
57 |
21 |
7385 |
482.6 |
-4.2 |
0.300 |
4 |
2 |
0 |
0.000 |
| 2 |
2 |
|
A |
58 |
17 |
7397 |
◊ |
B |
x-1,y,z |
1_455 |
56 |
18 |
7385 |
466.9 |
-4.2 |
0.375 |
4 |
2 |
0 |
0.000 |
| 3 |
3 |
|
C |
50 |
15 |
7338 |
◊ |
A |
x,y,z |
1_555 |
48 |
15 |
7397 |
386.5 |
-3.4 |
0.405 |
6 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
35 |
11 |
7385 |
x |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
30 |
11 |
7385 |
299.0 |
-1.1 |
0.581 |
4 |
3 |
0 |
0.000 |
| 5 |
5 |
|
C |
29 |
10 |
7338 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
27 |
8 |
7397 |
245.1 |
2.2 |
0.875 |
2 |
1 |
0 |
0.000 |
| 6 |
6 |
|
C |
20 |
5 |
7338 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
27 |
11 |
7397 |
197.6 |
-0.4 |
0.534 |
1 |
0 |
0 |
0.000 |
| 7 |
7 |
|
B |
22 |
9 |
7385 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
21 |
7 |
7397 |
176.5 |
-2.5 |
0.285 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
C |
20 |
5 |
7338 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
19 |
5 |
7385 |
149.9 |
-1.6 |
0.403 |
0 |
0 |
0 |
0.002 |
| 9 |
9 |
|
B |
12 |
4 |
7385 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
7397 |
125.8 |
-1.3 |
0.305 |
2 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[EDO]A:1199 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
7397 |
105.2 |
2.8 |
0.425 |
4 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[EDO]C:1200 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
7338 |
96.2 |
3.1 |
0.468 |
1 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[EDO]B:1199 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
7385 |
91.3 |
2.6 |
0.430 |
4 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:1198 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
7397 |
85.0 |
2.3 |
0.446 |
4 |
0 |
0 |
0.000 |
| Average: |
88.2 |
2.4 |
0.438 |
4 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]B:1203 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
7385 |
84.2 |
2.5 |
0.317 |
3 |
0 |
0 |
0.000 |
| 14 |
15 |
|
B |
8 |
2 |
7385 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
3 |
7385 |
80.6 |
1.5 |
0.892 |
2 |
2 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]C:1199 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
7338 |
80.2 |
1.5 |
0.219 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]C:1198 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
7338 |
79.9 |
1.6 |
0.704 |
2 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[SO4]C:1203 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
7338 |
79.7 |
-10.5 |
0.836 |
2 |
0 |
0 |
0.032 |
| 18 |
19 |
|
[EDO]B:1198 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
7385 |
79.3 |
2.2 |
0.882 |
3 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[EDO]A:1201 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
7397 |
78.1 |
1.6 |
0.179 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[SO4]B:1204 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7385 |
76.8 |
-10.3 |
0.810 |
3 |
0 |
0 |
0.045 |
| 21 |
22 |
|
[EDO]A:1203 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7397 |
74.8 |
2.3 |
0.278 |
2 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[SO4]C:1202 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
7338 |
74.5 |
-11.1 |
0.707 |
2 |
0 |
0 |
0.033 |
| 23 |
24 |
|
C |
8 |
5 |
7338 |
◊ |
[EDO]A:1201 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
73.8 |
1.8 |
0.244 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[EDO]A:1200 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
7338 |
71.7 |
2.3 |
0.549 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
A |
7 |
3 |
7397 |
◊ |
[EDO]B:1201 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
70.2 |
1.3 |
0.151 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[EDO]B:1200 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
7385 |
69.4 |
1.0 |
0.636 |
3 |
0 |
0 |
0.001 |
| 27 |
28 |
|
C |
8 |
3 |
7338 |
◊ |
[EDO]B:1198 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
68.7 |
2.0 |
0.284 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[EDO]C:1199 |
4 |
1 |
185 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
12 |
5 |
7385 |
68.3 |
2.1 |
0.286 |
1 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[EDO]A:1200 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
7397 |
67.8 |
2.0 |
0.825 |
2 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[SO4]C:1202 |
4 |
1 |
185 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
3 |
7385 |
67.2 |
-8.1 |
0.913 |
3 |
0 |
0 |
0.013 |
| 31 |
32 |
|
[NA]C:1201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
7338 |
64.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.033 |
| 32 |
33 |
|
[EDO]B:1201 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7385 |
64.0 |
0.9 |
0.667 |
2 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[EDO]A:1202 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
7397 |
63.5 |
2.0 |
0.933 |
3 |
0 |
0 |
0.000 |
| 34 |
35 |
|
B |
9 |
3 |
7385 |
◊ |
[EDO]B:1200 |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
1 |
184 |
62.7 |
1.8 |
0.275 |
1 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[EDO]B:1202 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
7385 |
62.3 |
2.0 |
0.267 |
1 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[SO4]B:1206 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
7385 |
60.1 |
-7.9 |
0.637 |
2 |
0 |
0 |
0.034 |
| 37 |
38 |
|
[EDO]C:1200 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7397 |
57.4 |
0.9 |
0.599 |
2 |
0 |
0 |
0.002 |
| 38 |
39 |
|
[SO4]A:1204 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
7397 |
54.9 |
-7.1 |
0.662 |
1 |
0 |
0 |
0.338 |
| 39 |
40 |
|
[SO4]B:1205 |
3 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
7385 |
48.0 |
-5.3 |
0.905 |
2 |
0 |
0 |
0.024 |
| 40 |
41 |
|
C |
6 |
2 |
7338 |
◊ |
[EDO]A:1202 |
x-1/2,-y+3/2,-z |
4_465 |
4 |
1 |
183 |
47.9 |
1.3 |
0.884 |
1 |
0 |
0 |
0.000 |
| 41 |
42 |
|
A |
11 |
3 |
7397 |
f |
[EDO]B:1199 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
47.5 |
0.9 |
0.693 |
1 |
0 |
0 |
0.000 |
43 |
|
[EDO]A:1198 |
3 |
1 |
185 |
f |
B |
x-1,y,z |
1_455 |
8 |
3 |
7385 |
41.8 |
0.7 |
0.663 |
1 |
0 |
0 |
0.000 |
| Average: |
44.7 |
0.8 |
0.678 |
1 |
0 |
0 |
0.000 |
| 42 |
44 |
|
B |
6 |
2 |
7385 |
◊ |
[EDO]A:1202 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
183 |
47.1 |
0.9 |
0.182 |
0 |
0 |
0 |
0.000 |
| 43 |
45 |
|
A |
7 |
5 |
7397 |
◊ |
[EDO]B:1202 |
x-1,y,z |
1_455 |
4 |
1 |
186 |
46.1 |
0.7 |
0.579 |
0 |
0 |
0 |
0.000 |
| 44 |
46 |
|
[EDO]C:1198 |
3 |
1 |
185 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
6 |
2 |
7385 |
45.6 |
1.0 |
0.648 |
0 |
0 |
0 |
0.000 |
| 45 |
47 |
|
B |
4 |
2 |
7385 |
f |
[EDO]A:1199 |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
185 |
38.2 |
0.5 |
0.506 |
0 |
0 |
0 |
0.000 |
| 46 |
48 |
|
[SO4]B:1204 |
3 |
1 |
186 |
f |
[EDO]B:1202 |
x,y,z |
1_555 |
4 |
1 |
186 |
33.4 |
-3.1 |
0.996 |
2 |
0 |
0 |
0.015 |
| 47 |
49 |
|
A |
3 |
1 |
7397 |
f |
[EDO]B:1203 |
x-1,y,z |
1_455 |
2 |
1 |
183 |
28.7 |
0.7 |
0.826 |
1 |
0 |
0 |
0.000 |
| 48 |
50 |
|
B |
3 |
1 |
7385 |
◊ |
[EDO]B:1201 |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
185 |
26.9 |
0.5 |
0.550 |
0 |
0 |
0 |
0.000 |
| 49 |
51 |
|
[EDO]A:1198 |
4 |
1 |
185 |
f |
[EDO]B:1202 |
x-1,y,z |
1_455 |
2 |
1 |
186 |
25.8 |
1.6 |
0.707 |
0 |
0 |
0 |
0.000 |
| 50 |
52 |
|
[SO4]B:1205 |
4 |
1 |
187 |
◊ |
[EDO]B:1200 |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
184 |
25.0 |
-1.8 |
0.999 |
0 |
0 |
0 |
0.000 |
| 51 |
53 |
|
[SO4]C:1203 |
3 |
1 |
186 |
f |
[EDO]C:1198 |
x,y,z |
1_555 |
1 |
1 |
185 |
22.8 |
-2.1 |
0.996 |
1 |
0 |
0 |
0.007 |
| 52 |
54 |
|
[SO4]B:1206 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7397 |
12.3 |
-1.5 |
0.696 |
0 |
0 |
0 |
0.000 |
| 53 |
55 |
|
[SO4]A:1204 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7385 |
10.5 |
-0.8 |
0.917 |
0 |
0 |
0 |
0.000 |
| 54 |
56 |
|
A |
2 |
1 |
7397 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
7338 |
8.2 |
0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
| 55 |
57 |
|
[EDO]B:1203 |
1 |
1 |
183 |
f |
[EDO]B:1199 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.1 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|