## |
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 |
375 |
96 |
21531 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
372 |
95 |
21531 |
3592.8 |
-48.2 |
0.008 |
62 |
18 |
0 |
0.543 |
2 |
|
B |
261 |
68 |
20570 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
260 |
68 |
20570 |
2569.4 |
-32.6 |
0.016 |
26 |
12 |
0 |
0.543 |
Average: |
3081.1 |
-40.4 |
0.012 |
44 |
15 |
0 |
0.543 |
2 |
3 |
|
[HEM]A:901 |
42 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
83 |
24 |
21531 |
557.8 |
-19.8 |
0.281 |
1 |
0 |
0 |
0.457 |
4 |
|
[HEM]B:2901 |
43 |
1 |
818 |
f |
B |
x,y,z |
1_555 |
84 |
23 |
20570 |
553.2 |
-18.9 |
0.295 |
1 |
0 |
0 |
0.457 |
Average: |
555.5 |
-19.3 |
0.288 |
1 |
0 |
0 |
0.457 |
3 |
5 |
|
B |
49 |
13 |
20570 |
◊ |
B |
-x+y+1,y,-z+3/2 |
11_656 |
49 |
13 |
20570 |
439.4 |
-3.0 |
0.462 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
48 |
13 |
21531 |
◊ |
A |
-x+2,-x+y+1,-z+2/3 |
9_765 |
48 |
13 |
21531 |
430.1 |
-3.4 |
0.449 |
2 |
0 |
0 |
0.000 |
Average: |
434.7 |
-3.2 |
0.455 |
2 |
0 |
0 |
0.000 |
4 |
7 |
|
B |
34 |
12 |
20570 |
◊ |
A |
x,x-y,-z+7/6 |
12_556 |
34 |
9 |
21531 |
270.7 |
-2.8 |
0.403 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
35 |
9 |
20570 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
21531 |
249.7 |
-2.0 |
0.478 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
[H4B]A:902 |
17 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
21531 |
219.0 |
2.0 |
0.451 |
3 |
0 |
0 |
0.000 |
10 |
|
[H4B]B:2902 |
17 |
1 |
403 |
f |
B |
x,y,z |
1_555 |
29 |
8 |
20570 |
202.5 |
2.3 |
0.473 |
3 |
0 |
0 |
0.000 |
Average: |
210.7 |
2.2 |
0.462 |
3 |
0 |
0 |
0.000 |
7 |
11 |
|
[B2]A:906 |
16 |
1 |
392 |
f |
A |
x,y,z |
1_555 |
34 |
13 |
21531 |
213.7 |
0.9 |
0.304 |
4 |
0 |
0 |
0.015 |
12 |
|
[B2]B:2906 |
15 |
1 |
391 |
f |
B |
x,y,z |
1_555 |
37 |
14 |
20570 |
210.3 |
1.1 |
0.326 |
4 |
0 |
0 |
0.015 |
Average: |
212.0 |
1.0 |
0.315 |
4 |
0 |
0 |
0.015 |
8 |
13 |
|
[B2]A:907 |
17 |
1 |
403 |
f |
A |
x,y,z |
1_555 |
32 |
9 |
21531 |
204.8 |
3.3 |
0.474 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
[H4B]B:2902 |
13 |
1 |
403 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
25 |
6 |
20570 |
124.3 |
0.7 |
0.344 |
1 |
0 |
0 |
0.010 |
15 |
|
[H4B]A:902 |
13 |
1 |
400 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
23 |
5 |
21531 |
116.7 |
-0.3 |
0.249 |
1 |
0 |
0 |
0.010 |
Average: |
120.5 |
0.2 |
0.296 |
1 |
0 |
0 |
0.010 |
10 |
16 |
|
[B2]B:2906 |
13 |
1 |
391 |
f |
[HEM]B:2901 |
x,y,z |
1_555 |
34 |
1 |
818 |
121.6 |
1.5 |
0.767 |
0 |
0 |
0 |
0.000 |
17 |
|
[B2]A:906 |
13 |
1 |
392 |
f |
[HEM]A:901 |
x,y,z |
1_555 |
33 |
1 |
818 |
120.7 |
1.4 |
0.761 |
0 |
0 |
0 |
0.000 |
Average: |
121.1 |
1.4 |
0.764 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[SO4]A:903 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21531 |
79.9 |
-10.9 |
0.843 |
3 |
0 |
0 |
0.158 |
12 |
19 |
|
A |
11 |
6 |
21531 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
7 |
20570 |
65.5 |
1.9 |
0.887 |
1 |
0 |
0 |
0.000 |
13 |
20 |
|
[ZN]A:904 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
6 |
4 |
21531 |
48.9 |
-29.4 |
0.000 |
0 |
0 |
0 |
0.385 |
21 |
|
[ZN]B:2903 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
5 |
3 |
20570 |
44.1 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.385 |
Average: |
46.5 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.385 |
14 |
22 |
|
A |
3 |
3 |
21531 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
3 |
3 |
21531 |
48.2 |
-1.5 |
0.069 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[SO4]A:903 |
3 |
1 |
185 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
5 |
2 |
21531 |
45.6 |
-6.7 |
0.430 |
0 |
0 |
0 |
0.087 |
16 |
24 |
|
[H4B]A:902 |
5 |
1 |
400 |
f |
[HEM]A:901 |
x,y,z |
1_555 |
4 |
1 |
818 |
41.5 |
-1.6 |
0.352 |
1 |
0 |
0 |
0.051 |
25 |
|
[H4B]B:2902 |
3 |
1 |
403 |
f |
[HEM]B:2901 |
x,y,z |
1_555 |
4 |
1 |
818 |
41.3 |
-1.3 |
0.403 |
2 |
0 |
0 |
0.051 |
Average: |
41.4 |
-1.5 |
0.377 |
2 |
0 |
0 |
0.051 |
|