| ## |
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 |
138 |
38 |
13435 |
◊ |
A |
x,y,z |
1_555 |
141 |
38 |
13332 |
1415.1 |
-19.1 |
0.031 |
17 |
4 |
0 |
0.273 |
| 2 |
2 |
|
B |
91 |
21 |
13435 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
88 |
21 |
13332 |
822.8 |
-13.7 |
0.038 |
4 |
2 |
0 |
0.176 |
| 3 |
3 |
|
A |
51 |
14 |
13332 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
64 |
19 |
13332 |
523.9 |
-1.3 |
0.552 |
9 |
9 |
0 |
0.000 |
| 4 |
4 |
|
A |
17 |
5 |
13332 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
25 |
6 |
13435 |
188.0 |
-1.1 |
0.452 |
1 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
11 |
2 |
13435 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
10 |
5 |
13332 |
115.3 |
-0.5 |
0.512 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[EDO]A:407 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
13332 |
108.2 |
4.4 |
0.722 |
4 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[EDO]A:406 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
13332 |
102.0 |
2.0 |
0.405 |
3 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[EDO]A:405 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
13332 |
92.1 |
2.6 |
0.309 |
2 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[SO4]A:404 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
13332 |
88.9 |
-12.1 |
0.913 |
3 |
0 |
0 |
0.150 |
| 10 |
10 |
|
[EDO]A:408 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13332 |
71.9 |
1.6 |
0.889 |
2 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[SO4]A:403 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
13332 |
69.6 |
-8.8 |
0.950 |
5 |
0 |
0 |
0.122 |
| 12 |
12 |
|
[FE]B:402 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
13435 |
64.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.487 |
13 |
|
[FE]A:402 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13332 |
64.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.487 |
14 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13435 |
60.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.487 |
15 |
|
[FE]A:401 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13332 |
59.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.487 |
| Average: |
62.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.487 |
| 13 |
16 |
|
[EDO]A:408 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
13435 |
59.8 |
1.2 |
0.585 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[FE]B:402 |
1 |
1 |
137 |
f |
[FE]B:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.063 |
| 15 |
18 |
|
[FE]A:402 |
1 |
1 |
137 |
f |
[FE]A:401 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.062 |
| 16 |
19 |
|
A |
1 |
1 |
13332 |
f |
[EDO]A:406 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
185 |
17.1 |
0.3 |
0.335 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
A |
1 |
1 |
13332 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
13435 |
6.9 |
0.0 |
0.481 |
0 |
0 |
0 |
0.000 |
|