## |
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 |
278 |
71 |
20220 |
◊ |
A |
x,y,z |
1_555 |
275 |
72 |
20411 |
2704.7 |
-38.6 |
0.010 |
41 |
6 |
0 |
0.509 |
2 |
2 |
|
[HEM]B:750 |
42 |
1 |
816 |
f |
B |
x,y,z |
1_555 |
76 |
24 |
20220 |
552.1 |
-19.2 |
0.290 |
1 |
0 |
0 |
0.341 |
3 |
|
[HEM]A:750 |
42 |
1 |
816 |
f |
A |
x,y,z |
1_555 |
74 |
23 |
20411 |
536.2 |
-18.5 |
0.284 |
1 |
0 |
0 |
0.341 |
Average: |
544.1 |
-18.8 |
0.287 |
1 |
0 |
0 |
0.341 |
3 |
4 |
|
A |
47 |
14 |
20411 |
x |
A |
x-1,y,z |
1_455 |
43 |
13 |
20411 |
405.6 |
-0.7 |
0.644 |
3 |
0 |
0 |
0.000 |
4 |
5 |
|
[W64]B:800 |
22 |
1 |
551 |
f |
B |
x,y,z |
1_555 |
49 |
21 |
20220 |
310.6 |
-1.8 |
0.804 |
4 |
0 |
0 |
0.061 |
6 |
|
[W64]A:800 |
23 |
1 |
554 |
f |
A |
x,y,z |
1_555 |
49 |
20 |
20411 |
306.8 |
-1.5 |
0.823 |
4 |
0 |
0 |
0.061 |
Average: |
308.7 |
-1.7 |
0.814 |
4 |
0 |
0 |
0.061 |
5 |
7 |
|
[H4B]B:760 |
17 |
1 |
395 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
20220 |
207.2 |
2.0 |
0.481 |
2 |
0 |
0 |
0.000 |
8 |
|
[H4B]A:760 |
17 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
31 |
9 |
20411 |
206.9 |
2.0 |
0.471 |
2 |
0 |
0 |
0.000 |
Average: |
207.1 |
2.0 |
0.476 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[W64]A:800 |
14 |
1 |
554 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
31 |
1 |
816 |
132.1 |
-4.5 |
0.886 |
0 |
0 |
0 |
0.078 |
10 |
|
[W64]B:800 |
14 |
1 |
551 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
30 |
1 |
816 |
130.4 |
-4.3 |
0.886 |
0 |
0 |
0 |
0.078 |
Average: |
131.2 |
-4.4 |
0.886 |
0 |
0 |
0 |
0.078 |
7 |
11 |
|
[H4B]B:760 |
13 |
1 |
395 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20411 |
117.3 |
-0.0 |
0.282 |
1 |
0 |
0 |
0.008 |
12 |
|
[H4B]A:760 |
13 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20220 |
116.0 |
-0.1 |
0.279 |
1 |
0 |
0 |
0.008 |
Average: |
116.7 |
-0.0 |
0.280 |
1 |
0 |
0 |
0.008 |
8 |
13 |
|
[EDO]A:870 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
20411 |
96.5 |
2.7 |
0.463 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
[H4B]A:760 |
3 |
1 |
395 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
816 |
41.0 |
-1.1 |
0.473 |
2 |
0 |
0 |
0.035 |
15 |
|
[H4B]B:760 |
3 |
1 |
395 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
816 |
40.4 |
-1.1 |
0.479 |
2 |
0 |
0 |
0.035 |
Average: |
40.7 |
-1.1 |
0.476 |
2 |
0 |
0 |
0.035 |
10 |
16 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20220 |
34.2 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.263 |
17 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20411 |
33.7 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.263 |
Average: |
34.0 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.263 |
11 |
18 |
|
[EDO]A:870 |
4 |
1 |
185 |
f |
[W64]A:800 |
x,y,z |
1_555 |
4 |
1 |
554 |
30.0 |
0.1 |
0.811 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
[EDO]A:870 |
4 |
1 |
185 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
4 |
1 |
816 |
29.2 |
-0.4 |
0.794 |
0 |
0 |
0 |
0.004 |
13 |
20 |
|
B |
4 |
1 |
20220 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
20411 |
27.9 |
0.3 |
0.651 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[W64]A:800 |
2 |
1 |
554 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
395 |
9.2 |
-0.3 |
0.299 |
0 |
0 |
0 |
0.004 |
22 |
|
[W64]B:800 |
2 |
1 |
551 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
1 |
1 |
395 |
8.4 |
-0.2 |
0.299 |
0 |
0 |
0 |
0.004 |
Average: |
8.8 |
-0.2 |
0.299 |
0 |
0 |
0 |
0.004 |
|