| ## |
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 |
49 |
18 |
11648 |
◊ |
B |
x,x-y,-z |
6_555 |
47 |
18 |
11648 |
430.1 |
-5.3 |
0.249 |
0 |
0 |
0 |
0.000 |
| 2 |
2 |
|
C |
37 |
13 |
11547 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
11648 |
347.5 |
-7.9 |
0.019 |
1 |
1 |
0 |
0.017 |
3 |
|
C |
21 |
7 |
11547 |
◊ |
A |
x,x-y,-z |
6_555 |
35 |
11 |
11544 |
307.5 |
-6.9 |
0.033 |
1 |
1 |
0 |
0.017 |
| Average: |
327.5 |
-7.4 |
0.026 |
1 |
1 |
0 |
0.017 |
| 3 |
4 |
|
C |
37 |
13 |
11547 |
◊ |
B |
-x+y+1,y,-z+1/3 |
5_655 |
36 |
11 |
11648 |
329.6 |
-3.3 |
0.350 |
3 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
34 |
12 |
11648 |
◊ |
A |
x,x-y,-z |
6_555 |
27 |
9 |
11544 |
325.4 |
-8.2 |
0.018 |
1 |
1 |
0 |
0.009 |
| 5 |
6 |
|
C |
28 |
9 |
11547 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
11544 |
283.7 |
-4.2 |
0.170 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
C |
27 |
9 |
11547 |
◊ |
B |
x-1,y-1,z |
1_445 |
26 |
9 |
11648 |
240.7 |
0.1 |
0.580 |
4 |
0 |
0 |
0.000 |
8 |
|
B |
28 |
11 |
11648 |
◊ |
A |
x,x-y+1,-z |
6_565 |
26 |
8 |
11544 |
211.7 |
-0.4 |
0.612 |
5 |
0 |
0 |
0.000 |
9 |
|
C |
18 |
7 |
11547 |
◊ |
A |
x-1,x-y,-z |
6_455 |
21 |
8 |
11544 |
167.3 |
-0.2 |
0.632 |
4 |
0 |
0 |
0.000 |
| Average: |
206.6 |
-0.2 |
0.608 |
4 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
23 |
8 |
11648 |
◊ |
A |
-y+2,x-y+1,z+1/3 |
2_765 |
21 |
9 |
11544 |
227.2 |
1.0 |
0.741 |
4 |
1 |
0 |
0.000 |
| 8 |
11 |
|
C |
27 |
8 |
11547 |
◊ |
B |
x-1,x-y,-z |
6_455 |
29 |
9 |
11648 |
215.7 |
-2.0 |
0.439 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
C |
26 |
12 |
11547 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
22 |
11 |
11544 |
191.5 |
-2.9 |
0.278 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[MPD]A:301 |
8 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
28 |
14 |
11544 |
184.6 |
-14.1 |
0.448 |
2 |
0 |
0 |
0.100 |
| 11 |
14 |
|
[MPD]B:301 |
8 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
11648 |
181.3 |
-13.7 |
0.401 |
3 |
0 |
0 |
0.094 |
| 12 |
15 |
|
[MPD]C:302 |
8 |
1 |
273 |
f |
C |
x,y,z |
1_555 |
28 |
14 |
11547 |
180.0 |
-13.6 |
0.443 |
3 |
0 |
0 |
0.040 |
| 13 |
16 |
|
[SO4]C:301 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
11547 |
127.2 |
-19.0 |
0.542 |
1 |
0 |
0 |
0.052 |
| 14 |
17 |
|
C |
14 |
7 |
11547 |
◊ |
C |
-x+y,y,-z+1/3 |
5_555 |
14 |
7 |
11547 |
122.7 |
-1.6 |
0.350 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[NO3]B:302 |
4 |
1 |
162 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
11648 |
111.3 |
-0.3 |
0.283 |
0 |
0 |
0 |
0.002 |
| 16 |
19 |
|
A |
12 |
6 |
11544 |
◊ |
A |
-y+1,-x+1,-z-1/3 |
4_664 |
12 |
6 |
11544 |
106.9 |
-0.5 |
0.536 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
A |
8 |
2 |
11544 |
◊ |
A |
x,x-y+1,-z |
6_565 |
8 |
2 |
11544 |
74.6 |
-2.0 |
0.153 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
C |
6 |
2 |
11547 |
◊ |
C |
x,x-y,-z |
6_555 |
6 |
2 |
11547 |
44.0 |
1.5 |
0.896 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[MPD]C:302 |
4 |
1 |
273 |
f |
[SO4]C:301 |
x,y,z |
1_555 |
4 |
1 |
185 |
18.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.008 |
| 20 |
23 |
|
[NO3]B:302 |
2 |
1 |
162 |
f |
[MPD]B:301 |
x,y,z |
1_555 |
3 |
1 |
274 |
18.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
| 21 |
24 |
|
B |
4 |
2 |
11648 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11544 |
17.1 |
0.8 |
0.848 |
0 |
0 |
0 |
0.000 |
|