| ## |
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 |
101 |
28 |
11270 |
◊ |
A |
x,y,z |
1_555 |
103 |
27 |
11057 |
944.9 |
0.8 |
0.745 |
18 |
8 |
0 |
0.000 |
2 |
|
D |
97 |
27 |
10897 |
◊ |
C |
x,y,z |
1_555 |
106 |
27 |
10955 |
935.4 |
1.7 |
0.802 |
19 |
8 |
0 |
0.000 |
| Average: |
940.1 |
1.2 |
0.774 |
19 |
8 |
0 |
0.000 |
| 2 |
3 |
|
D |
78 |
21 |
10897 |
◊ |
B |
x,y,z |
1_555 |
77 |
22 |
11270 |
809.2 |
-13.9 |
0.027 |
11 |
12 |
1 |
0.540 |
4 |
|
C |
78 |
21 |
10955 |
◊ |
A |
x,y,z |
1_555 |
77 |
21 |
11057 |
797.7 |
-13.6 |
0.032 |
12 |
14 |
1 |
0.540 |
| Average: |
803.4 |
-13.7 |
0.030 |
12 |
13 |
1 |
0.540 |
| 3 |
5 |
|
D |
67 |
20 |
10897 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
67 |
24 |
11270 |
529.9 |
-4.1 |
0.391 |
1 |
1 |
0 |
0.000 |
| 4 |
6 |
|
C |
26 |
7 |
10955 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
11270 |
262.3 |
3.4 |
0.895 |
2 |
4 |
0 |
0.000 |
7 |
|
D |
25 |
6 |
10897 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
11057 |
214.8 |
3.4 |
0.896 |
1 |
2 |
0 |
0.000 |
| Average: |
238.5 |
3.4 |
0.895 |
2 |
3 |
0 |
0.000 |
| 5 |
8 |
|
A |
24 |
8 |
11057 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
26 |
8 |
10955 |
243.1 |
-2.2 |
0.308 |
1 |
2 |
0 |
0.000 |
| 6 |
9 |
|
C |
23 |
7 |
10955 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
24 |
9 |
11270 |
226.7 |
1.9 |
0.757 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
24 |
7 |
11270 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
31 |
10 |
10955 |
225.2 |
-1.4 |
0.484 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
D |
13 |
6 |
10897 |
◊ |
C |
x-1,y,z |
1_455 |
19 |
5 |
10955 |
141.6 |
-2.8 |
0.127 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
A |
11 |
4 |
11057 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
9 |
3 |
10897 |
87.8 |
-1.2 |
0.357 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[FE]C:1286 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
10955 |
72.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.474 |
14 |
|
[FE]B:1290 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
11270 |
69.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.474 |
15 |
|
[FE]A:1293 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11057 |
67.5 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.474 |
16 |
|
[FE]D:1287 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
10897 |
66.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.474 |
| Average: |
68.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.474 |
| 11 |
17 |
|
[NO3]A:301 |
4 |
1 |
165 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
13 |
6 |
10955 |
71.1 |
1.6 |
0.544 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
A |
5 |
2 |
11057 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
3 |
11270 |
29.2 |
0.5 |
0.761 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[NO3]A:301 |
1 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
11057 |
28.3 |
0.6 |
0.454 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
A |
1 |
1 |
11057 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
11057 |
5.5 |
0.3 |
0.839 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
B |
1 |
1 |
11270 |
◊ |
D |
-x-3/2,-y,z-1/2 |
2_354 |
1 |
1 |
10897 |
5.3 |
0.1 |
0.518 |
0 |
0 |
0 |
0.000 |
|