## |
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 |
55 |
16 |
10863 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
59 |
18 |
10863 |
527.0 |
-5.3 |
0.296 |
5 |
0 |
0 |
0.000 |
2 |
|
B |
53 |
16 |
10745 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
59 |
17 |
10745 |
524.5 |
-4.6 |
0.385 |
5 |
0 |
0 |
0.000 |
Average: |
525.8 |
-5.0 |
0.341 |
5 |
0 |
0 |
0.000 |
2 |
3 |
|
B |
48 |
16 |
10745 |
◊ |
A |
x,y,z |
1_555 |
48 |
17 |
10863 |
406.6 |
-2.8 |
0.481 |
3 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
34 |
12 |
10863 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
36 |
10 |
10745 |
317.9 |
-2.4 |
0.444 |
4 |
0 |
0 |
0.000 |
5 |
|
A |
40 |
12 |
10863 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
36 |
13 |
10745 |
311.7 |
-3.1 |
0.386 |
2 |
0 |
0 |
0.000 |
Average: |
314.8 |
-2.8 |
0.415 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
[I1N]A:710 |
11 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
31 |
13 |
10863 |
163.2 |
-0.1 |
0.435 |
7 |
0 |
0 |
0.008 |
7 |
|
[I1N]B:709 |
12 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
10745 |
160.9 |
-0.0 |
0.448 |
7 |
0 |
0 |
0.008 |
Average: |
162.0 |
-0.1 |
0.442 |
7 |
0 |
0 |
0.008 |
5 |
8 |
|
A |
16 |
6 |
10863 |
x |
A |
x,y-1,z |
1_545 |
9 |
2 |
10863 |
109.1 |
0.5 |
0.709 |
0 |
0 |
0 |
0.000 |
9 |
|
B |
17 |
7 |
10745 |
x |
B |
x,y-1,z |
1_545 |
11 |
3 |
10745 |
106.4 |
1.2 |
0.744 |
1 |
1 |
0 |
0.000 |
Average: |
107.8 |
0.8 |
0.727 |
1 |
1 |
0 |
0.000 |
6 |
10 |
|
[SO4]B:702 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
10745 |
65.2 |
-8.4 |
0.866 |
2 |
0 |
0 |
0.023 |
7 |
11 |
|
[SO4]A:701 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
10863 |
63.0 |
-8.1 |
0.855 |
2 |
0 |
0 |
0.023 |
8 |
12 |
|
[FE]B:705 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10745 |
55.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.024 |
13 |
|
[FE]A:703 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10863 |
53.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
54.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.024 |
9 |
14 |
|
[FE]B:706 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
10745 |
48.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.023 |
15 |
|
[FE]A:704 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10863 |
47.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
47.9 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.023 |
10 |
16 |
|
[I1N]A:710 |
4 |
1 |
296 |
f |
[FE]A:704 |
x,y,z |
1_555 |
1 |
1 |
137 |
41.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.008 |
17 |
|
[I1N]B:709 |
4 |
1 |
296 |
f |
[FE]B:706 |
x,y,z |
1_555 |
1 |
1 |
137 |
40.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
40.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.008 |
11 |
18 |
|
[I1N]A:710 |
4 |
1 |
296 |
f |
[FE]A:703 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.004 |
19 |
|
[I1N]B:709 |
3 |
1 |
296 |
f |
[FE]B:705 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
21.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.004 |
12 |
20 |
|
[FE]A:704 |
1 |
1 |
137 |
f |
[FE]A:703 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.011 |
13 |
21 |
|
[FE]B:706 |
1 |
1 |
137 |
f |
[FE]B:705 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.010 |
14 |
22 |
|
[I1N]B:709 |
1 |
1 |
296 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10863 |
2.6 |
-0.0 |
0.353 |
0 |
0 |
0 |
0.000 |
|