## |
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 |
99 |
26 |
11447 |
◊ |
A |
x,y,z |
1_555 |
102 |
26 |
11151 |
966.0 |
-13.3 |
0.056 |
8 |
4 |
0 |
0.085 |
2 |
2 |
|
B |
87 |
22 |
11447 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
85 |
22 |
11447 |
746.0 |
-10.0 |
0.106 |
6 |
0 |
0 |
0.055 |
3 |
|
A |
88 |
23 |
11151 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
86 |
23 |
11151 |
744.0 |
-9.7 |
0.144 |
4 |
0 |
0 |
0.055 |
Average: |
745.0 |
-9.8 |
0.125 |
5 |
0 |
0 |
0.055 |
3 |
4 |
|
B |
53 |
13 |
11447 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
3_647 |
52 |
14 |
11151 |
472.6 |
0.7 |
0.718 |
6 |
12 |
0 |
0.000 |
4 |
5 |
|
B |
17 |
6 |
11447 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
18 |
6 |
11447 |
151.8 |
-2.2 |
0.281 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
10 |
6 |
11447 |
◊ |
A |
-x+1,-y+1,z-1 |
2_664 |
11 |
5 |
11151 |
115.9 |
3.7 |
0.965 |
4 |
6 |
0 |
0.000 |
6 |
7 |
|
[GOL]B:2004 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
11447 |
110.5 |
0.9 |
0.698 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[GOL]A:2003 |
5 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
11151 |
108.6 |
-0.8 |
0.458 |
2 |
0 |
0 |
0.008 |
8 |
9 |
|
[SO4]B:2002 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
11447 |
89.3 |
-14.3 |
0.139 |
3 |
0 |
0 |
0.076 |
9 |
10 |
|
[SO4]A:2001 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
11151 |
88.6 |
-15.6 |
0.029 |
4 |
0 |
0 |
0.085 |
10 |
11 |
|
A |
7 |
2 |
11151 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
7 |
2 |
11151 |
84.6 |
0.9 |
0.806 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
B |
7 |
4 |
11447 |
x |
B |
-x+3/2,y-1/2,-z+1 |
3_646 |
5 |
4 |
11447 |
52.3 |
0.8 |
0.784 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[FE]B:1502 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
11447 |
50.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.047 |
13 |
14 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
11151 |
50.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.046 |
14 |
15 |
|
[FE]B:1503 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
11447 |
45.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.083 |
16 |
|
[FE]A:503 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
11151 |
45.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
45.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.083 |
15 |
17 |
|
[ZN]B:1501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
11447 |
33.5 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.111 |
16 |
18 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
11151 |
33.3 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.116 |
17 |
19 |
|
[FE]B:1502 |
1 |
1 |
137 |
f |
[SO4]B:2002 |
x,y,z |
1_555 |
3 |
1 |
186 |
32.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.062 |
20 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
[SO4]A:2001 |
x,y,z |
1_555 |
4 |
1 |
186 |
28.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
30.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.062 |
18 |
21 |
|
[FE]A:503 |
1 |
1 |
137 |
f |
[SO4]A:2001 |
x,y,z |
1_555 |
4 |
1 |
186 |
26.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.028 |
19 |
22 |
|
[FE]B:1503 |
1 |
1 |
137 |
f |
[SO4]B:2002 |
x,y,z |
1_555 |
4 |
1 |
186 |
26.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.027 |
20 |
23 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
[SO4]A:2001 |
x,y,z |
1_555 |
3 |
1 |
186 |
23.7 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.065 |
21 |
24 |
|
[GOL]A:2003 |
1 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
11447 |
21.9 |
0.2 |
0.527 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[GOL]B:2004 |
4 |
1 |
220 |
f |
A |
-x+3/2,y-1/2,-z+2 |
3_647 |
4 |
1 |
11151 |
21.9 |
0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[ZN]B:1501 |
1 |
1 |
98 |
f |
[SO4]B:2002 |
x,y,z |
1_555 |
4 |
1 |
186 |
21.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.056 |
24 |
27 |
|
[FE]A:503 |
1 |
1 |
137 |
f |
[FE]A:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.021 |
25 |
28 |
|
[FE]B:1503 |
1 |
1 |
137 |
f |
[ZN]B:1501 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.039 |
26 |
29 |
|
[FE]B:1503 |
1 |
1 |
137 |
f |
[FE]B:1502 |
x,y,z |
1_555 |
1 |
1 |
137 |
14.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.014 |
27 |
30 |
|
[FE]A:503 |
1 |
1 |
137 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.023 |
28 |
31 |
|
[FE]B:1502 |
1 |
1 |
137 |
f |
[ZN]B:1501 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
29 |
32 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
30 |
33 |
|
B |
1 |
1 |
11447 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
11151 |
1.9 |
0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
|