## |
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 |
265 |
69 |
20069 |
◊ |
A |
x,y,z |
1_555 |
271 |
67 |
19846 |
2612.1 |
-38.8 |
0.004 |
36 |
9 |
0 |
0.467 |
2 |
2 |
|
A |
68 |
20 |
19846 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
71 |
19 |
20069 |
669.1 |
-0.6 |
0.717 |
11 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:801 |
41 |
1 |
826 |
f |
B |
x,y,z |
1_555 |
79 |
24 |
20069 |
507.7 |
-17.8 |
0.340 |
3 |
0 |
0 |
0.317 |
4 |
|
[HEM]A:801 |
42 |
1 |
824 |
f |
A |
x,y,z |
1_555 |
75 |
24 |
19846 |
504.6 |
-17.6 |
0.350 |
3 |
0 |
0 |
0.317 |
Average: |
506.2 |
-17.7 |
0.345 |
3 |
0 |
0 |
0.317 |
4 |
5 |
|
B |
54 |
15 |
20069 |
x |
B |
x-1,y,z |
1_455 |
44 |
14 |
20069 |
450.7 |
1.3 |
0.730 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
40 |
11 |
20069 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
31 |
8 |
19846 |
321.6 |
-1.8 |
0.521 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
[KMA]A:803 |
23 |
1 |
582 |
f |
A |
x,y,z |
1_555 |
39 |
17 |
19846 |
301.5 |
-1.9 |
0.433 |
4 |
0 |
0 |
0.066 |
8 |
|
[KMA]B:803 |
23 |
1 |
587 |
f |
B |
x,y,z |
1_555 |
40 |
18 |
20069 |
300.7 |
-2.5 |
0.330 |
4 |
0 |
0 |
0.066 |
Average: |
301.1 |
-2.2 |
0.382 |
4 |
0 |
0 |
0.066 |
7 |
9 |
|
[H4B]B:802 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
28 |
9 |
20069 |
196.7 |
1.9 |
0.441 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:802 |
17 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
19846 |
189.0 |
1.8 |
0.461 |
2 |
0 |
0 |
0.000 |
Average: |
192.8 |
1.9 |
0.451 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
22 |
9 |
19846 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
7 |
20069 |
175.1 |
0.7 |
0.755 |
2 |
3 |
0 |
0.000 |
9 |
12 |
|
[KMA]B:803 |
20 |
1 |
587 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
37 |
1 |
826 |
174.7 |
-4.7 |
0.701 |
0 |
0 |
0 |
0.077 |
13 |
|
[KMA]A:803 |
20 |
1 |
582 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
38 |
1 |
824 |
170.0 |
-4.6 |
0.714 |
0 |
0 |
0 |
0.077 |
Average: |
172.3 |
-4.6 |
0.708 |
0 |
0 |
0 |
0.077 |
10 |
14 |
|
[H4B]B:802 |
14 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
19846 |
116.8 |
-0.1 |
0.244 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]A:802 |
13 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20069 |
116.3 |
-0.1 |
0.276 |
1 |
0 |
0 |
0.009 |
Average: |
116.5 |
-0.1 |
0.260 |
1 |
0 |
0 |
0.009 |
11 |
16 |
|
[ACT]B:804 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20069 |
113.8 |
-1.3 |
0.493 |
1 |
0 |
0 |
0.015 |
12 |
17 |
|
[ACT]A:804 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
19846 |
111.6 |
-1.3 |
0.498 |
1 |
0 |
0 |
0.014 |
13 |
18 |
|
[H4B]B:802 |
5 |
1 |
396 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
6 |
1 |
826 |
42.4 |
-0.9 |
0.513 |
2 |
0 |
0 |
0.029 |
19 |
|
[H4B]A:802 |
4 |
1 |
395 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
6 |
1 |
824 |
41.4 |
-0.8 |
0.550 |
2 |
0 |
0 |
0.029 |
Average: |
41.9 |
-0.8 |
0.531 |
2 |
0 |
0 |
0.029 |
14 |
20 |
|
[ACT]A:804 |
3 |
1 |
182 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
5 |
1 |
824 |
35.4 |
-1.1 |
0.751 |
0 |
0 |
0 |
0.009 |
15 |
21 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20069 |
34.2 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.253 |
22 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19846 |
34.1 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.253 |
Average: |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.253 |
16 |
23 |
|
[ACT]B:804 |
3 |
1 |
182 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
5 |
1 |
826 |
33.0 |
-1.0 |
0.756 |
0 |
0 |
0 |
0.008 |
17 |
24 |
|
B |
2 |
1 |
20069 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
3 |
20069 |
26.3 |
1.2 |
0.877 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[KMA]A:803 |
3 |
1 |
582 |
f |
[H4B]A:802 |
x,y,z |
1_555 |
4 |
1 |
395 |
23.3 |
-0.4 |
0.227 |
0 |
0 |
0 |
0.006 |
26 |
|
[KMA]B:803 |
5 |
1 |
587 |
f |
[H4B]B:802 |
x,y,z |
1_555 |
3 |
1 |
396 |
15.7 |
-0.3 |
0.272 |
0 |
0 |
0 |
0.006 |
Average: |
19.5 |
-0.4 |
0.250 |
0 |
0 |
0 |
0.006 |
19 |
27 |
|
A |
4 |
3 |
19846 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
20069 |
13.2 |
-0.1 |
0.580 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[KMA]B:803 |
1 |
1 |
587 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
19846 |
11.8 |
0.2 |
0.620 |
0 |
0 |
0 |
0.000 |
29 |
|
[KMA]A:803 |
2 |
1 |
582 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20069 |
8.1 |
0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
Average: |
9.9 |
0.2 |
0.602 |
0 |
0 |
0 |
0.000 |
|