## |
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 |
256 |
71 |
20303 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
256 |
71 |
20303 |
2613.2 |
-33.9 |
0.010 |
31 |
18 |
0 |
0.264 |
2 |
|
B |
258 |
71 |
20200 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
255 |
71 |
20200 |
2545.1 |
-32.2 |
0.015 |
29 |
14 |
0 |
0.264 |
Average: |
2579.2 |
-33.0 |
0.012 |
30 |
16 |
0 |
0.264 |
2 |
3 |
|
[HEM]B:901 |
43 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
88 |
26 |
20200 |
620.8 |
-21.6 |
0.324 |
1 |
0 |
0 |
0.235 |
4 |
|
[HEM]A:901 |
43 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
87 |
25 |
20303 |
616.6 |
-21.5 |
0.311 |
2 |
0 |
0 |
0.235 |
Average: |
618.7 |
-21.6 |
0.317 |
2 |
0 |
0 |
0.235 |
3 |
5 |
|
B |
51 |
13 |
20200 |
◊ |
B |
-x+y+1,y,-z+3/2 |
11_656 |
51 |
13 |
20200 |
465.4 |
-3.3 |
0.422 |
4 |
0 |
0 |
0.000 |
6 |
|
A |
49 |
13 |
20303 |
◊ |
A |
-x+2,-x+y+1,-z+2/3 |
9_765 |
48 |
13 |
20303 |
449.9 |
-3.1 |
0.429 |
4 |
0 |
0 |
0.000 |
Average: |
457.6 |
-3.2 |
0.426 |
4 |
0 |
0 |
0.000 |
4 |
7 |
|
B |
32 |
11 |
20200 |
◊ |
A |
x,x-y,-z+7/6 |
12_556 |
35 |
9 |
20303 |
271.4 |
-3.8 |
0.244 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
27 |
9 |
20200 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
20303 |
236.7 |
-2.1 |
0.414 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
[4AB]A:902 |
17 |
1 |
403 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
20303 |
215.3 |
3.1 |
0.396 |
2 |
0 |
0 |
0.000 |
10 |
|
[4AB]B:902 |
17 |
1 |
404 |
f |
B |
x,y,z |
1_555 |
28 |
8 |
20200 |
213.6 |
2.8 |
0.384 |
2 |
0 |
0 |
0.000 |
Average: |
214.5 |
2.9 |
0.390 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
[4AB]B:902 |
15 |
1 |
404 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
20 |
6 |
20200 |
119.0 |
0.1 |
0.123 |
1 |
0 |
0 |
0.007 |
12 |
|
[4AB]A:902 |
14 |
1 |
403 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
19 |
6 |
20303 |
117.2 |
-0.2 |
0.115 |
1 |
0 |
0 |
0.007 |
Average: |
118.1 |
-0.1 |
0.119 |
1 |
0 |
0 |
0.007 |
8 |
13 |
|
[SO4]B:905 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
20200 |
110.0 |
-15.1 |
0.907 |
4 |
0 |
0 |
0.175 |
9 |
14 |
|
[SO4]A:907 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
20303 |
106.1 |
-15.6 |
0.832 |
3 |
0 |
0 |
0.178 |
10 |
15 |
|
[SO4]B:907 |
5 |
1 |
191 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20200 |
79.8 |
-11.0 |
0.833 |
5 |
0 |
0 |
0.137 |
11 |
16 |
|
A |
10 |
5 |
20303 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
6 |
20200 |
79.7 |
2.4 |
0.910 |
3 |
0 |
0 |
0.000 |
12 |
17 |
|
[SO4]A:904 |
5 |
1 |
192 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20303 |
79.7 |
-11.5 |
0.784 |
1 |
0 |
0 |
0.125 |
13 |
18 |
|
[SO4]B:906 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
20200 |
75.2 |
-9.2 |
0.922 |
3 |
0 |
0 |
0.109 |
14 |
19 |
|
[SO4]A:905 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
20303 |
73.3 |
-9.5 |
0.852 |
2 |
0 |
0 |
0.108 |
15 |
20 |
|
[SO4]B:904 |
4 |
1 |
191 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
20200 |
62.7 |
-9.1 |
0.591 |
1 |
0 |
0 |
0.099 |
16 |
21 |
|
[SO4]A:906 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
20303 |
52.3 |
-7.1 |
0.635 |
1 |
0 |
0 |
0.079 |
17 |
22 |
|
[ZN]A:903 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
5 |
3 |
20303 |
47.5 |
-31.1 |
0.000 |
0 |
0 |
0 |
0.246 |
23 |
|
[ZN]B:903 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
5 |
3 |
20200 |
46.5 |
-29.9 |
0.000 |
0 |
0 |
0 |
0.246 |
Average: |
47.0 |
-30.5 |
0.000 |
0 |
0 |
0 |
0.246 |
18 |
24 |
|
[4AB]A:902 |
4 |
1 |
403 |
f |
[HEM]A:901 |
x,y,z |
1_555 |
5 |
1 |
814 |
44.9 |
-1.4 |
0.349 |
1 |
0 |
0 |
0.025 |
25 |
|
[4AB]B:902 |
3 |
1 |
404 |
f |
[HEM]B:901 |
x,y,z |
1_555 |
5 |
1 |
821 |
44.8 |
-1.5 |
0.372 |
2 |
0 |
0 |
0.025 |
Average: |
44.8 |
-1.4 |
0.360 |
2 |
0 |
0 |
0.025 |
19 |
26 |
|
A |
3 |
2 |
20303 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
3 |
2 |
20303 |
35.8 |
-1.1 |
0.131 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[SO4]A:905 |
1 |
1 |
185 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
1 |
1 |
20303 |
3.2 |
-0.3 |
0.917 |
0 |
0 |
0 |
0.003 |
21 |
28 |
|
[SO4]A:905 |
1 |
1 |
185 |
f |
[SO4]A:904 |
x,y,z |
1_555 |
1 |
1 |
192 |
2.2 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.005 |
|