| ## |
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 |
|
A |
72 |
22 |
12905 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
68 |
22 |
12852 |
753.9 |
-13.1 |
0.023 |
3 |
2 |
0 |
0.363 |
2 |
|
D |
66 |
22 |
12498 |
◊ |
C |
x,y,z |
1_555 |
69 |
22 |
12976 |
733.2 |
-13.1 |
0.012 |
4 |
3 |
0 |
0.363 |
| Average: |
743.6 |
-13.1 |
0.017 |
4 |
3 |
0 |
0.363 |
| 2 |
3 |
|
A |
79 |
25 |
12905 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
72 |
23 |
12976 |
750.3 |
-5.3 |
0.358 |
10 |
2 |
0 |
0.251 |
4 |
|
D |
78 |
24 |
12498 |
◊ |
B |
x,y,z |
1_555 |
69 |
20 |
12852 |
696.3 |
-5.3 |
0.338 |
12 |
1 |
0 |
0.251 |
| Average: |
723.3 |
-5.3 |
0.348 |
11 |
2 |
0 |
0.251 |
| 3 |
5 |
|
C |
68 |
18 |
12976 |
◊ |
A |
x,y,z |
1_555 |
66 |
17 |
12905 |
580.1 |
0.3 |
0.715 |
8 |
4 |
0 |
0.000 |
| 4 |
6 |
|
[4S7]C:500 |
27 |
1 |
770 |
◊ |
C |
x,y,z |
1_555 |
72 |
31 |
12976 |
521.6 |
3.0 |
0.162 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
55 |
14 |
12852 |
◊ |
D |
-x-1/2,-y+1,z-1/2 |
2_464 |
45 |
15 |
12498 |
425.5 |
4.2 |
0.917 |
9 |
3 |
0 |
0.000 |
| 6 |
8 |
|
B |
30 |
8 |
12852 |
◊ |
C |
-x-1/2,-y+1,z-1/2 |
2_464 |
26 |
11 |
12976 |
270.1 |
-0.5 |
0.629 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
23 |
8 |
12905 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
24 |
7 |
12498 |
263.9 |
-4.4 |
0.089 |
0 |
0 |
0 |
0.088 |
10 |
|
C |
20 |
7 |
12976 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
12852 |
234.9 |
-2.9 |
0.222 |
0 |
0 |
0 |
0.088 |
| Average: |
249.4 |
-3.7 |
0.155 |
0 |
0 |
0 |
0.088 |
| 8 |
11 |
|
B |
33 |
11 |
12852 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
12905 |
246.9 |
0.3 |
0.717 |
3 |
1 |
0 |
0.000 |
| 9 |
12 |
|
D |
23 |
8 |
12498 |
◊ |
C |
x-1,y,z |
1_455 |
15 |
5 |
12976 |
191.2 |
-3.2 |
0.174 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
C |
20 |
5 |
12976 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
21 |
7 |
12976 |
189.8 |
0.4 |
0.707 |
2 |
0 |
0 |
0.000 |
| 11 |
14 |
|
A |
24 |
8 |
12905 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
17 |
7 |
12852 |
173.9 |
-2.3 |
0.307 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
A |
17 |
5 |
12905 |
◊ |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
16 |
4 |
12498 |
132.0 |
0.6 |
0.718 |
1 |
1 |
0 |
0.000 |
| 13 |
16 |
|
[4S7]C:500 |
7 |
1 |
770 |
f |
D |
x,y,z |
1_555 |
18 |
4 |
12498 |
92.3 |
0.2 |
0.263 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[SO4]B:401 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
12852 |
92.3 |
-12.1 |
0.917 |
5 |
0 |
0 |
0.333 |
| 15 |
18 |
|
[SO4]A:401 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
12905 |
91.4 |
-11.7 |
0.913 |
5 |
0 |
0 |
0.323 |
| 16 |
19 |
|
[NO3]D:401 |
4 |
1 |
162 |
◊ |
D |
x,y,z |
1_555 |
16 |
8 |
12498 |
77.6 |
0.0 |
0.319 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[NO3]D:402 |
4 |
1 |
161 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
12498 |
74.0 |
1.9 |
0.560 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
A |
6 |
1 |
12905 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
12976 |
57.6 |
-0.6 |
0.393 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[NO3]D:401 |
4 |
1 |
162 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
12976 |
47.5 |
-0.1 |
0.582 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
B |
5 |
2 |
12852 |
◊ |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
5 |
2 |
12498 |
31.3 |
-0.4 |
0.428 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
A |
3 |
1 |
12905 |
f |
[NO3]D:401 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
162 |
21.9 |
-0.1 |
0.260 |
0 |
0 |
0 |
0.002 |
| 22 |
25 |
|
[4S7]C:500 |
1 |
1 |
770 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12852 |
16.9 |
0.3 |
0.432 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
C |
1 |
1 |
12976 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
12852 |
9.3 |
0.5 |
0.856 |
0 |
0 |
0 |
0.000 |
|