## |
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 |
|
C |
150 |
46 |
10835 |
◊ |
C |
y,x,-z |
7_555 |
152 |
46 |
10835 |
1653.0 |
-29.2 |
0.021 |
24 |
14 |
0 |
0.423 |
2 |
|
B |
150 |
45 |
11393 |
◊ |
B |
-x+2,-y+1,z |
2_765 |
150 |
45 |
11393 |
1580.1 |
-29.7 |
0.010 |
24 |
4 |
0 |
0.423 |
3 |
|
A |
147 |
45 |
11131 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
147 |
45 |
11131 |
1551.6 |
-29.1 |
0.015 |
22 |
4 |
0 |
0.423 |
Average: |
1594.9 |
-29.3 |
0.015 |
23 |
7 |
0 |
0.423 |
2 |
4 |
|
B |
154 |
45 |
11393 |
◊ |
A |
x,y,z |
1_555 |
156 |
44 |
11131 |
1484.5 |
-18.8 |
0.228 |
11 |
0 |
0 |
0.331 |
5 |
|
C |
151 |
44 |
10835 |
◊ |
C |
-y+1,-x+1,-z |
8_665 |
148 |
44 |
10835 |
1458.2 |
-17.8 |
0.326 |
14 |
0 |
0 |
0.331 |
Average: |
1471.3 |
-18.3 |
0.277 |
13 |
0 |
0 |
0.331 |
3 |
6 |
|
A |
50 |
16 |
11131 |
◊ |
B |
-y+3/2,x-1/2,z+1/2 |
3_645 |
48 |
16 |
11393 |
444.3 |
-1.3 |
0.716 |
3 |
4 |
0 |
0.030 |
4 |
7 |
|
C |
20 |
8 |
10835 |
◊ |
B |
y,x-1,-z |
7_545 |
25 |
7 |
11393 |
208.2 |
-0.2 |
0.668 |
3 |
0 |
0 |
0.000 |
5 |
8 |
|
C |
16 |
4 |
10835 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
11131 |
177.7 |
-3.0 |
0.282 |
2 |
2 |
0 |
0.000 |
6 |
9 |
|
C |
16 |
4 |
10835 |
◊ |
A |
y,x,-z |
7_555 |
17 |
7 |
11131 |
144.2 |
-0.6 |
0.569 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
[SO4]B:200 |
5 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
11393 |
92.0 |
-10.3 |
0.946 |
5 |
0 |
0 |
0.250 |
8 |
11 |
|
[SO4]C:200 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
10835 |
81.9 |
-10.3 |
0.850 |
1 |
0 |
0 |
0.296 |
9 |
12 |
|
[SO4]A:200 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11131 |
77.5 |
-9.3 |
0.959 |
2 |
0 |
0 |
0.211 |
10 |
13 |
|
[FE2]C:199 |
1 |
1 |
137 |
cf |
C |
x,y,z |
1_555 |
10 |
6 |
10835 |
73.0 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.361 |
14 |
|
[FE2]A:199 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
11131 |
71.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.361 |
15 |
|
[FE2]B:199 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
11 |
6 |
11393 |
71.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.361 |
Average: |
72.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.361 |
11 |
16 |
|
A |
5 |
2 |
11131 |
◊ |
C |
-y+3/2,x-1/2,z+1/2 |
3_645 |
6 |
2 |
10835 |
48.4 |
-0.8 |
0.386 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
C |
6 |
4 |
10835 |
◊ |
B |
-y+1,-x+1,-z |
8_665 |
3 |
2 |
11393 |
41.1 |
-0.4 |
0.500 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
C |
5 |
3 |
10835 |
◊ |
B |
y,x,-z |
7_555 |
3 |
1 |
11393 |
39.6 |
-0.2 |
0.502 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[SO4]A:200 |
4 |
1 |
182 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
5 |
4 |
11131 |
38.9 |
-5.9 |
0.557 |
0 |
0 |
0 |
0.122 |
15 |
20 |
|
C |
4 |
2 |
10835 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11393 |
34.2 |
-0.6 |
0.406 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[SO4]C:200 |
3 |
1 |
184 |
◊ |
C |
y,x,-z |
7_555 |
3 |
2 |
10835 |
32.5 |
-4.8 |
0.462 |
0 |
0 |
0 |
0.096 |
17 |
22 |
|
[SO4]B:200 |
4 |
1 |
182 |
◊ |
B |
-x+2,-y+1,z |
2_765 |
4 |
3 |
11393 |
32.4 |
-4.6 |
0.539 |
0 |
0 |
0 |
0.091 |
18 |
23 |
|
A |
4 |
2 |
11131 |
◊ |
[SO4]B:200 |
-y+3/2,x-1/2,z+1/2 |
3_645 |
3 |
1 |
182 |
24.0 |
-3.1 |
0.717 |
0 |
0 |
0 |
0.029 |
19 |
24 |
|
[SO4]A:200 |
3 |
1 |
182 |
◊ |
B |
-y+3/2,x-1/2,z+1/2 |
3_645 |
7 |
3 |
11393 |
17.1 |
-2.0 |
0.820 |
0 |
0 |
0 |
0.019 |
20 |
25 |
|
[FE2]C:199 |
1 |
1 |
137 |
◊ |
C |
-y+1,-x+1,-z |
8_665 |
2 |
1 |
10835 |
4.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.012 |
21 |
26 |
|
B |
1 |
1 |
11393 |
◊ |
A |
-y+3/2,x-1/2,z-1/2 |
3_644 |
1 |
1 |
11131 |
3.2 |
-0.1 |
0.423 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[SO4]C:200 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11131 |
1.3 |
-0.1 |
0.850 |
0 |
0 |
0 |
0.000 |
|