## |
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 |
63 |
18 |
8161 |
◊ |
A |
x,y,z |
1_555 |
78 |
21 |
8366 |
705.7 |
-8.0 |
0.526 |
4 |
0 |
0 |
0.046 |
2 |
2 |
|
[HEM]A:111 |
42 |
1 |
856 |
cf |
A |
x,y,z |
1_555 |
70 |
24 |
8366 |
577.5 |
-22.3 |
0.401 |
3 |
0 |
0 |
0.230 |
3 |
|
[HEM]B:111 |
42 |
1 |
855 |
cf |
B |
x,y,z |
1_555 |
70 |
24 |
8161 |
574.5 |
-21.9 |
0.452 |
2 |
0 |
0 |
0.230 |
Average: |
576.0 |
-22.1 |
0.427 |
3 |
0 |
0 |
0.230 |
3 |
4 |
|
[HEM]A:112 |
42 |
1 |
843 |
cf |
A |
x,y,z |
1_555 |
55 |
23 |
8366 |
576.3 |
-21.8 |
0.189 |
0 |
0 |
0 |
0.215 |
5 |
|
[HEM]B:112 |
42 |
1 |
826 |
cf |
B |
x,y,z |
1_555 |
61 |
21 |
8161 |
535.6 |
-21.2 |
0.228 |
1 |
0 |
0 |
0.215 |
Average: |
556.0 |
-21.5 |
0.209 |
1 |
0 |
0 |
0.215 |
4 |
6 |
|
[HEM]A:110 |
42 |
1 |
826 |
cf |
A |
x,y,z |
1_555 |
56 |
17 |
8366 |
500.2 |
-21.7 |
0.138 |
0 |
0 |
0 |
0.221 |
7 |
|
[HEM]B:110 |
43 |
1 |
856 |
cf |
B |
x,y,z |
1_555 |
63 |
16 |
8161 |
494.7 |
-22.0 |
0.233 |
2 |
0 |
0 |
0.221 |
Average: |
497.4 |
-21.9 |
0.186 |
1 |
0 |
0 |
0.221 |
5 |
8 |
|
[HEM]A:113 |
41 |
1 |
848 |
cf |
A |
x,y,z |
1_555 |
54 |
19 |
8366 |
489.5 |
-20.4 |
0.283 |
1 |
0 |
0 |
0.202 |
9 |
|
[HEM]B:113 |
40 |
1 |
845 |
cf |
B |
x,y,z |
1_555 |
55 |
19 |
8161 |
452.2 |
-19.1 |
0.303 |
2 |
0 |
0 |
0.202 |
Average: |
470.9 |
-19.7 |
0.293 |
2 |
0 |
0 |
0.202 |
6 |
10 |
|
A |
36 |
9 |
8366 |
◊ |
B |
-y,x,z |
3_555 |
38 |
10 |
8161 |
310.4 |
-3.9 |
0.529 |
3 |
1 |
0 |
0.027 |
7 |
11 |
|
A |
32 |
10 |
8366 |
◊ |
A |
-x,-y+1,z |
2_565 |
31 |
10 |
8366 |
260.8 |
-3.8 |
0.503 |
2 |
0 |
0 |
0.000 |
8 |
12 |
|
A |
27 |
6 |
8366 |
◊ |
B |
x,y,z-1 |
1_554 |
23 |
6 |
8161 |
199.0 |
-2.7 |
0.544 |
3 |
0 |
0 |
0.000 |
9 |
13 |
|
A |
27 |
8 |
8366 |
◊ |
B |
-y,x,z-1 |
3_554 |
19 |
5 |
8161 |
194.7 |
0.1 |
0.770 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
[HEM]B:113 |
9 |
1 |
845 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
8366 |
150.7 |
-4.8 |
0.533 |
0 |
0 |
0 |
0.043 |
15 |
|
[HEM]A:113 |
9 |
1 |
848 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
8161 |
125.5 |
-4.3 |
0.537 |
0 |
0 |
0 |
0.043 |
Average: |
138.1 |
-4.6 |
0.535 |
0 |
0 |
0 |
0.043 |
11 |
16 |
|
[HEM]B:113 |
17 |
1 |
845 |
◊ |
[HEM]A:113 |
x,y,z |
1_555 |
19 |
1 |
848 |
109.4 |
-5.7 |
0.995 |
0 |
0 |
0 |
0.027 |
12 |
17 |
|
B |
12 |
5 |
8161 |
◊ |
A |
-y+1,x,z |
3_655 |
11 |
5 |
8366 |
106.4 |
-2.1 |
0.388 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[HEM]A:110 |
17 |
1 |
826 |
◊ |
[HEM]B:110 |
-y,x,z |
3_555 |
20 |
1 |
856 |
101.7 |
-4.1 |
0.999 |
0 |
0 |
0 |
0.021 |
14 |
19 |
|
A |
17 |
5 |
8366 |
◊ |
[HEM]B:110 |
-y,x,z |
3_555 |
8 |
1 |
856 |
96.4 |
-2.2 |
0.736 |
0 |
0 |
0 |
0.011 |
15 |
20 |
|
[HEM]A:110 |
5 |
1 |
826 |
◊ |
B |
-y,x,z |
3_555 |
14 |
4 |
8161 |
90.7 |
-2.4 |
0.550 |
0 |
0 |
0 |
0.012 |
16 |
21 |
|
[HEM]B:112 |
14 |
1 |
826 |
f |
[HEM]B:110 |
x,y,z |
1_555 |
4 |
1 |
856 |
66.9 |
-2.4 |
0.809 |
0 |
0 |
0 |
0.012 |
17 |
22 |
|
[HEM]A:112 |
13 |
1 |
843 |
f |
[HEM]A:110 |
x,y,z |
1_555 |
4 |
1 |
826 |
65.8 |
-2.2 |
0.820 |
0 |
0 |
0 |
0.011 |
18 |
23 |
|
[HEM]A:113 |
4 |
1 |
848 |
f |
[HEM]A:112 |
x,y,z |
1_555 |
12 |
1 |
843 |
65.6 |
-2.2 |
0.834 |
0 |
0 |
0 |
0.011 |
19 |
24 |
|
[HEM]B:113 |
4 |
1 |
845 |
f |
[HEM]B:112 |
x,y,z |
1_555 |
12 |
1 |
826 |
62.8 |
-2.1 |
0.853 |
0 |
0 |
0 |
0.010 |
20 |
25 |
|
A |
7 |
3 |
8366 |
◊ |
[HEM]B:111 |
-y,x,z-1 |
3_554 |
5 |
1 |
855 |
60.8 |
-2.0 |
0.560 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[HEM]B:111 |
3 |
1 |
855 |
f |
[HEM]B:110 |
x,y,z |
1_555 |
10 |
1 |
856 |
40.4 |
-1.3 |
0.817 |
0 |
0 |
0 |
0.013 |
27 |
|
[HEM]A:111 |
3 |
1 |
856 |
f |
[HEM]A:110 |
x,y,z |
1_555 |
8 |
1 |
826 |
39.5 |
-1.3 |
0.831 |
0 |
0 |
0 |
0.013 |
Average: |
40.0 |
-1.3 |
0.824 |
0 |
0 |
0 |
0.013 |
22 |
28 |
|
[HEM]B:110 |
1 |
1 |
856 |
◊ |
A |
-y+1,x,z |
3_655 |
4 |
2 |
8366 |
23.7 |
-0.4 |
0.444 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[HEM]A:112 |
2 |
1 |
843 |
f |
[HEM]A:111 |
x,y,z |
1_555 |
1 |
1 |
856 |
13.8 |
-0.4 |
0.604 |
0 |
0 |
0 |
0.004 |
30 |
|
[HEM]B:112 |
2 |
1 |
826 |
f |
[HEM]B:111 |
x,y,z |
1_555 |
1 |
1 |
855 |
10.9 |
-0.3 |
0.671 |
0 |
0 |
0 |
0.004 |
Average: |
12.4 |
-0.4 |
0.638 |
0 |
0 |
0 |
0.004 |
24 |
31 |
|
[HEM]A:111 |
3 |
1 |
856 |
◊ |
B |
-y,x,z-1 |
3_554 |
1 |
1 |
8161 |
10.8 |
-0.1 |
0.857 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[HEM]A:111 |
1 |
1 |
856 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
8161 |
7.8 |
-0.6 |
0.323 |
0 |
0 |
0 |
0.000 |
|