| ## |
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:109 |
43 |
1 |
848 |
cf |
B |
x,y,z |
1_555 |
71 |
23 |
8190 |
582.6 |
-24.9 |
0.323 |
5 |
0 |
0 |
0.026 |
2 |
|
[HEM]A:109 |
43 |
1 |
853 |
cf |
A |
x,y,z |
1_555 |
72 |
24 |
8199 |
577.4 |
-24.6 |
0.324 |
4 |
0 |
0 |
0.026 |
| Average: |
580.0 |
-24.7 |
0.323 |
5 |
0 |
0 |
0.026 |
| 2 |
3 |
|
[HEM]B:112 |
42 |
1 |
825 |
cf |
B |
x,y,z |
1_555 |
59 |
23 |
8190 |
581.6 |
-22.1 |
0.218 |
3 |
0 |
0 |
0.023 |
4 |
|
[HEM]A:112 |
42 |
1 |
826 |
cf |
A |
x,y,z |
1_555 |
60 |
23 |
8199 |
570.4 |
-22.7 |
0.168 |
2 |
0 |
0 |
0.023 |
| Average: |
576.0 |
-22.4 |
0.193 |
3 |
0 |
0 |
0.023 |
| 3 |
5 |
|
[HEM]A:111 |
43 |
1 |
831 |
cf |
A |
x,y,z |
1_555 |
73 |
24 |
8199 |
578.2 |
-24.2 |
0.249 |
1 |
0 |
0 |
0.024 |
6 |
|
[HEM]B:111 |
43 |
1 |
831 |
cf |
B |
x,y,z |
1_555 |
76 |
24 |
8190 |
573.3 |
-24.0 |
0.291 |
2 |
0 |
0 |
0.024 |
| Average: |
575.8 |
-24.1 |
0.270 |
2 |
0 |
0 |
0.024 |
| 4 |
7 |
|
[HEM]B:110 |
43 |
1 |
848 |
cf |
B |
x,y,z |
1_555 |
71 |
24 |
8190 |
569.6 |
-22.2 |
0.377 |
3 |
0 |
0 |
0.022 |
8 |
|
[HEM]A:110 |
42 |
1 |
842 |
cf |
A |
x,y,z |
1_555 |
71 |
26 |
8199 |
551.3 |
-21.4 |
0.406 |
2 |
0 |
0 |
0.022 |
| Average: |
560.4 |
-21.8 |
0.391 |
3 |
0 |
0 |
0.022 |
| 5 |
9 |
|
A |
39 |
12 |
8199 |
x |
A |
x-y,x,z+1/6 |
6_555 |
47 |
12 |
8199 |
385.4 |
1.9 |
0.900 |
7 |
3 |
0 |
0.000 |
| 6 |
10 |
|
B |
28 |
8 |
8190 |
x |
B |
x-y,x,z+1/6 |
6_555 |
37 |
10 |
8190 |
277.9 |
-1.1 |
0.729 |
3 |
0 |
0 |
0.000 |
| 7 |
11 |
|
B |
23 |
9 |
8190 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
8199 |
244.2 |
0.1 |
0.775 |
2 |
2 |
0 |
0.000 |
| 8 |
12 |
|
A |
28 |
10 |
8199 |
◊ |
B |
-x+1,-y,z-1/2 |
4_654 |
21 |
7 |
8190 |
243.0 |
-2.3 |
0.560 |
4 |
1 |
0 |
0.000 |
| 9 |
13 |
|
B |
32 |
10 |
8190 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
19 |
7 |
8199 |
218.8 |
-2.2 |
0.588 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
A |
22 |
5 |
8199 |
◊ |
B |
-y,x-y-1,z-2/3 |
2_544 |
23 |
6 |
8190 |
201.2 |
-2.0 |
0.577 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
B |
15 |
7 |
8190 |
x |
B |
-y,x-y-1,z+1/3 |
2_545 |
14 |
5 |
8190 |
122.3 |
-0.9 |
0.589 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
B |
16 |
5 |
8190 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
13 |
4 |
8199 |
100.3 |
-0.7 |
0.624 |
1 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[HEM]A:112 |
12 |
1 |
826 |
f |
[HEM]A:111 |
x,y,z |
1_555 |
4 |
1 |
831 |
76.5 |
-2.6 |
0.793 |
0 |
0 |
0 |
0.002 |
18 |
|
[HEM]B:112 |
12 |
1 |
825 |
f |
[HEM]B:111 |
x,y,z |
1_555 |
4 |
1 |
831 |
75.8 |
-2.5 |
0.797 |
0 |
0 |
0 |
0.002 |
| Average: |
76.2 |
-2.6 |
0.795 |
0 |
0 |
0 |
0.002 |
| 14 |
19 |
|
[HEM]B:112 |
13 |
1 |
825 |
f |
[HEM]B:109 |
x,y,z |
1_555 |
4 |
1 |
848 |
71.7 |
-2.4 |
0.816 |
0 |
0 |
0 |
0.002 |
20 |
|
[HEM]A:112 |
13 |
1 |
826 |
f |
[HEM]A:109 |
x,y,z |
1_555 |
4 |
1 |
853 |
71.5 |
-2.4 |
0.824 |
0 |
0 |
0 |
0.002 |
| Average: |
71.6 |
-2.4 |
0.820 |
0 |
0 |
0 |
0.002 |
| 15 |
21 |
|
[HEM]B:111 |
12 |
1 |
831 |
f |
[HEM]B:110 |
x,y,z |
1_555 |
3 |
1 |
848 |
47.3 |
-1.7 |
0.802 |
0 |
0 |
0 |
0.002 |
22 |
|
[HEM]A:111 |
9 |
1 |
831 |
f |
[HEM]A:110 |
x,y,z |
1_555 |
3 |
1 |
842 |
46.2 |
-1.6 |
0.801 |
0 |
0 |
0 |
0.002 |
| Average: |
46.8 |
-1.7 |
0.802 |
0 |
0 |
0 |
0.002 |
| 16 |
23 |
|
[HEM]B:110 |
6 |
1 |
848 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8199 |
40.1 |
-1.3 |
0.791 |
1 |
0 |
0 |
0.000 |
| 17 |
24 |
|
A |
1 |
1 |
8199 |
◊ |
[HEM]A:110 |
x-y,x,z+1/6 |
6_555 |
3 |
1 |
842 |
29.8 |
0.0 |
0.695 |
1 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[HEM]A:112 |
2 |
1 |
826 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8190 |
27.6 |
-0.9 |
0.501 |
1 |
0 |
0 |
0.000 |
| 19 |
26 |
|
B |
2 |
1 |
8190 |
◊ |
[HEM]B:110 |
x-y,x,z+1/6 |
6_555 |
3 |
1 |
848 |
26.1 |
0.0 |
0.753 |
1 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[HEM]B:110 |
3 |
1 |
848 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
5 |
2 |
8199 |
24.9 |
-1.2 |
0.575 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[HEM]A:110 |
4 |
1 |
842 |
◊ |
B |
-y,x-y-1,z-2/3 |
2_544 |
5 |
2 |
8190 |
23.8 |
-1.0 |
0.724 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
A |
3 |
2 |
8199 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
3 |
2 |
8199 |
20.8 |
-0.4 |
0.480 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[HEM]A:112 |
2 |
1 |
826 |
f |
[HEM]A:110 |
x,y,z |
1_555 |
2 |
1 |
842 |
14.7 |
-0.5 |
0.797 |
0 |
0 |
0 |
0.000 |
31 |
|
[HEM]B:112 |
2 |
1 |
825 |
f |
[HEM]B:110 |
x,y,z |
1_555 |
2 |
1 |
848 |
13.8 |
-0.4 |
0.792 |
0 |
0 |
0 |
0.000 |
| Average: |
14.3 |
-0.5 |
0.794 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[HEM]A:110 |
1 |
1 |
842 |
◊ |
[HEM]B:111 |
-y,x-y-1,z-2/3 |
2_544 |
1 |
1 |
831 |
4.8 |
-0.3 |
0.615 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[HEM]B:110 |
1 |
1 |
848 |
◊ |
[HEM]A:112 |
x,y,z |
1_555 |
1 |
1 |
826 |
4.6 |
-0.3 |
0.615 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[HEM]B:111 |
2 |
1 |
831 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
8199 |
3.5 |
-0.2 |
0.665 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
A |
1 |
1 |
8199 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
8190 |
0.9 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[HEM]A:111 |
1 |
1 |
831 |
◊ |
B |
-x+1,-y,z-1/2 |
4_654 |
1 |
1 |
8190 |
0.7 |
-0.0 |
0.784 |
0 |
0 |
0 |
0.000 |
|