## |
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 |
|
[HEM]B:74 |
43 |
1 |
827 |
f |
B |
x,y,z |
1_555 |
68 |
20 |
5884 |
528.6 |
-19.0 |
0.608 |
2 |
0 |
0 |
0.250 |
2 |
|
[HEM]A:74 |
43 |
1 |
828 |
f |
A |
x,y,z |
1_555 |
66 |
20 |
5990 |
526.3 |
-20.3 |
0.418 |
1 |
0 |
0 |
0.250 |
Average: |
527.5 |
-19.7 |
0.513 |
2 |
0 |
0 |
0.250 |
2 |
3 |
|
[HEM]B:73 |
42 |
1 |
804 |
cf |
B |
x,y,z |
1_555 |
62 |
23 |
5884 |
522.2 |
-20.0 |
0.356 |
1 |
0 |
0 |
0.249 |
4 |
|
[HEM]A:73 |
42 |
1 |
802 |
cf |
A |
x,y,z |
1_555 |
59 |
26 |
5990 |
515.0 |
-19.3 |
0.326 |
2 |
0 |
0 |
0.249 |
Average: |
518.6 |
-19.6 |
0.341 |
2 |
0 |
0 |
0.249 |
3 |
5 |
|
B |
60 |
17 |
5884 |
◊ |
A |
x,y,z |
1_555 |
50 |
13 |
5990 |
508.8 |
-0.3 |
0.832 |
12 |
0 |
0 |
0.035 |
4 |
6 |
|
[HEM]B:72 |
42 |
1 |
824 |
f |
B |
x,y,z |
1_555 |
68 |
19 |
5884 |
496.9 |
-20.6 |
0.315 |
1 |
0 |
0 |
0.240 |
7 |
|
[HEM]A:72 |
43 |
1 |
786 |
f |
A |
x,y,z |
1_555 |
64 |
18 |
5990 |
459.2 |
-17.2 |
0.434 |
2 |
0 |
0 |
0.240 |
Average: |
478.0 |
-18.9 |
0.374 |
2 |
0 |
0 |
0.240 |
5 |
8 |
|
B |
44 |
11 |
5884 |
◊ |
A |
x,y-1,z |
1_545 |
46 |
12 |
5990 |
453.3 |
-7.4 |
0.358 |
0 |
0 |
0 |
0.005 |
6 |
9 |
|
B |
28 |
8 |
5884 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
33 |
10 |
5990 |
273.3 |
-4.6 |
0.365 |
1 |
0 |
0 |
0.003 |
7 |
10 |
|
B |
16 |
5 |
5884 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
9 |
5990 |
160.3 |
-0.2 |
0.713 |
3 |
2 |
0 |
0.000 |
8 |
11 |
|
B |
20 |
8 |
5884 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
5 |
5990 |
149.4 |
-0.3 |
0.700 |
2 |
2 |
0 |
0.000 |
9 |
12 |
|
B |
7 |
2 |
5884 |
x |
B |
x-1,y,z |
1_455 |
15 |
5 |
5884 |
116.4 |
-1.2 |
0.425 |
1 |
0 |
0 |
0.000 |
13 |
|
A |
16 |
6 |
5990 |
x |
A |
x-1,y,z |
1_455 |
8 |
2 |
5990 |
114.7 |
-0.3 |
0.660 |
4 |
2 |
0 |
0.000 |
Average: |
115.6 |
-0.8 |
0.543 |
3 |
1 |
0 |
0.000 |
10 |
14 |
|
[HEM]B:72 |
5 |
1 |
824 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
16 |
4 |
5990 |
105.3 |
-2.2 |
0.588 |
0 |
0 |
0 |
0.003 |
15 |
|
B |
16 |
5 |
5884 |
◊ |
[HEM]A:72 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
786 |
89.5 |
-1.9 |
0.607 |
0 |
0 |
0 |
0.003 |
Average: |
97.4 |
-2.1 |
0.598 |
0 |
0 |
0 |
0.003 |
11 |
16 |
|
[HEM]B:74 |
6 |
1 |
827 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
4 |
5990 |
85.1 |
-2.5 |
0.620 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
B |
12 |
4 |
5884 |
◊ |
[HEM]A:74 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
828 |
81.2 |
-2.1 |
0.552 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[HEM]A:72 |
9 |
1 |
786 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
5884 |
79.9 |
-2.5 |
0.711 |
0 |
0 |
0 |
0.015 |
14 |
19 |
|
[HEM]B:73 |
12 |
1 |
804 |
f |
[HEM]B:72 |
x,y,z |
1_555 |
5 |
1 |
824 |
71.8 |
-2.3 |
0.852 |
0 |
0 |
0 |
0.028 |
20 |
|
[HEM]A:73 |
11 |
1 |
802 |
f |
[HEM]A:72 |
x,y,z |
1_555 |
4 |
1 |
786 |
70.2 |
-2.2 |
0.746 |
0 |
0 |
0 |
0.028 |
Average: |
71.0 |
-2.3 |
0.799 |
0 |
0 |
0 |
0.028 |
15 |
21 |
|
[SO4]A:75 |
5 |
1 |
186 |
f |
[HEM]A:74 |
x,y,z |
1_555 |
7 |
1 |
828 |
71.5 |
-11.7 |
0.839 |
0 |
0 |
0 |
0.072 |
16 |
22 |
|
[SO4]A:75 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
5990 |
63.4 |
-8.5 |
0.758 |
1 |
0 |
0 |
0.055 |
17 |
23 |
|
[HEM]A:74 |
4 |
1 |
828 |
f |
[HEM]A:73 |
x,y,z |
1_555 |
11 |
1 |
802 |
53.4 |
-1.7 |
0.863 |
0 |
0 |
0 |
0.021 |
24 |
|
[HEM]B:74 |
4 |
1 |
827 |
f |
[HEM]B:73 |
x,y,z |
1_555 |
11 |
1 |
804 |
52.8 |
-1.7 |
0.863 |
0 |
0 |
0 |
0.021 |
Average: |
53.1 |
-1.7 |
0.863 |
0 |
0 |
0 |
0.021 |
18 |
25 |
|
B |
6 |
2 |
5884 |
◊ |
[HEM]A:73 |
x,y-1,z |
1_545 |
3 |
1 |
802 |
50.2 |
-1.1 |
0.585 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[HEM]B:72 |
7 |
1 |
824 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
5990 |
49.5 |
-2.0 |
0.717 |
0 |
0 |
0 |
0.012 |
20 |
27 |
|
A |
7 |
1 |
5990 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
5884 |
47.9 |
-1.1 |
0.356 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[HEM]B:74 |
4 |
1 |
827 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
5990 |
47.1 |
-2.2 |
0.492 |
1 |
0 |
0 |
0.017 |
22 |
29 |
|
A |
5 |
2 |
5990 |
◊ |
[HEM]B:73 |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
804 |
46.8 |
-1.1 |
0.742 |
1 |
0 |
0 |
0.000 |
23 |
30 |
|
A |
2 |
2 |
5990 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
5884 |
45.6 |
3.1 |
0.966 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
A |
4 |
1 |
5990 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
5990 |
45.0 |
0.0 |
0.696 |
1 |
1 |
0 |
0.000 |
25 |
32 |
|
[HEM]A:73 |
3 |
1 |
802 |
◊ |
[HEM]B:73 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
804 |
38.3 |
-3.6 |
0.329 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[HEM]B:73 |
3 |
1 |
804 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
5990 |
33.6 |
-1.3 |
0.417 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[HEM]A:73 |
4 |
1 |
802 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
5884 |
32.6 |
-0.2 |
0.730 |
1 |
0 |
0 |
0.000 |
28 |
35 |
|
[HEM]B:72 |
2 |
1 |
824 |
◊ |
[HEM]A:72 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
786 |
29.3 |
-0.9 |
0.385 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
B |
2 |
1 |
5884 |
◊ |
[SO4]A:75 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
186 |
16.3 |
-1.0 |
0.960 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[HEM]A:74 |
2 |
1 |
828 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
5884 |
12.3 |
-0.5 |
0.617 |
0 |
0 |
0 |
0.003 |
31 |
38 |
|
B |
1 |
1 |
5884 |
x |
B |
x-1/2,-y-3/2,-z |
4_435 |
3 |
1 |
5884 |
6.1 |
-0.2 |
0.501 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[SO4]A:75 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
5884 |
5.2 |
-0.4 |
0.799 |
0 |
0 |
0 |
0.003 |
|