## |
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 |
|
D |
88 |
25 |
8236 |
◊ |
C |
x,y,z |
1_555 |
103 |
26 |
7692 |
932.6 |
-8.4 |
0.479 |
7 |
0 |
0 |
0.230 |
2 |
|
B |
91 |
23 |
7966 |
◊ |
A |
x,y,z |
1_555 |
93 |
25 |
7440 |
886.1 |
-9.3 |
0.484 |
6 |
0 |
0 |
0.230 |
Average: |
909.4 |
-8.9 |
0.481 |
7 |
0 |
0 |
0.230 |
2 |
3 |
|
[HEM]C:201 |
43 |
1 |
825 |
f |
C |
x,y,z |
1_555 |
67 |
25 |
7692 |
569.5 |
-20.3 |
0.312 |
2 |
0 |
0 |
0.377 |
4 |
|
[HEM]A:201 |
43 |
1 |
810 |
f |
A |
x,y,z |
1_555 |
69 |
27 |
7440 |
552.0 |
-18.8 |
0.468 |
2 |
0 |
0 |
0.377 |
Average: |
560.8 |
-19.5 |
0.390 |
2 |
0 |
0 |
0.377 |
3 |
5 |
|
[HEM]D:201 |
43 |
1 |
794 |
f |
D |
x,y,z |
1_555 |
62 |
24 |
8236 |
546.2 |
-17.8 |
0.415 |
1 |
0 |
0 |
0.338 |
6 |
|
[HEM]B:201 |
42 |
1 |
839 |
f |
B |
x,y,z |
1_555 |
65 |
23 |
7966 |
537.8 |
-17.6 |
0.485 |
0 |
0 |
0 |
0.338 |
Average: |
542.0 |
-17.7 |
0.450 |
1 |
0 |
0 |
0.338 |
4 |
7 |
|
D |
52 |
9 |
8236 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
7440 |
427.0 |
-2.6 |
0.666 |
5 |
1 |
0 |
0.000 |
8 |
|
B |
50 |
12 |
7966 |
◊ |
C |
x,y,z |
1_555 |
43 |
12 |
7692 |
396.8 |
-2.2 |
0.675 |
3 |
1 |
0 |
0.000 |
Average: |
411.9 |
-2.4 |
0.670 |
4 |
1 |
0 |
0.000 |
5 |
9 |
|
C |
39 |
14 |
7692 |
◊ |
A |
x,y,z |
1_555 |
37 |
14 |
7440 |
335.4 |
-4.6 |
0.346 |
3 |
0 |
0 |
0.000 |
6 |
10 |
|
C |
24 |
10 |
7692 |
x |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
32 |
9 |
7692 |
261.2 |
-2.9 |
0.392 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
[86M]C:203 |
20 |
1 |
472 |
cf |
C |
x,y,z |
1_555 |
32 |
12 |
7692 |
235.7 |
2.6 |
0.331 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[86M]A:203 |
19 |
1 |
471 |
cf |
A |
x,y,z |
1_555 |
31 |
11 |
7440 |
224.7 |
2.7 |
0.364 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
A |
27 |
9 |
7440 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
30 |
9 |
7440 |
217.8 |
-0.3 |
0.768 |
0 |
1 |
0 |
0.000 |
10 |
14 |
|
B |
31 |
9 |
7966 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
21 |
8 |
7966 |
197.6 |
-0.0 |
0.629 |
4 |
1 |
0 |
0.000 |
11 |
15 |
|
D |
20 |
6 |
8236 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
7966 |
189.3 |
1.2 |
0.832 |
3 |
0 |
0 |
0.000 |
12 |
16 |
|
D |
22 |
5 |
8236 |
x |
D |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
7 |
8236 |
144.2 |
-1.0 |
0.315 |
0 |
1 |
0 |
0.000 |
13 |
17 |
|
[86M]A:203 |
13 |
1 |
471 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
7692 |
111.7 |
1.0 |
0.238 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
A |
9 |
3 |
7440 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
16 |
4 |
7966 |
111.3 |
-2.1 |
0.228 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
C |
10 |
2 |
7692 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
3 |
8236 |
107.7 |
2.4 |
0.852 |
1 |
4 |
0 |
0.000 |
16 |
20 |
|
[86M]C:203 |
15 |
1 |
472 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
7440 |
103.0 |
1.1 |
0.220 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[86M]C:203 |
15 |
1 |
472 |
◊ |
[86M]A:203 |
x,y,z |
1_555 |
15 |
1 |
471 |
97.7 |
1.5 |
0.064 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
C |
8 |
3 |
7692 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
11 |
2 |
7966 |
74.6 |
0.6 |
0.771 |
1 |
1 |
0 |
0.000 |
19 |
23 |
|
[CMO]B:202 |
2 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
7966 |
69.4 |
-0.4 |
0.769 |
0 |
0 |
0 |
0.008 |
20 |
24 |
|
[CMO]D:202 |
2 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
8236 |
69.3 |
-0.4 |
0.743 |
0 |
0 |
0 |
0.002 |
21 |
25 |
|
C |
7 |
2 |
7692 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
2 |
8236 |
64.3 |
-0.7 |
0.441 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[CMO]C:202 |
2 |
1 |
138 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
7692 |
63.5 |
-0.9 |
0.662 |
1 |
0 |
0 |
0.006 |
23 |
27 |
|
[CMO]A:202 |
2 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
7440 |
62.2 |
-0.8 |
0.672 |
1 |
0 |
0 |
0.023 |
24 |
28 |
|
A |
9 |
3 |
7440 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
3 |
8236 |
56.2 |
-1.0 |
0.434 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
C |
5 |
2 |
7692 |
◊ |
[HEM]C:201 |
-x-1,y-1/2,-z+1/2 |
3_445 |
7 |
1 |
825 |
51.8 |
-1.4 |
0.816 |
1 |
0 |
0 |
0.000 |
26 |
30 |
|
[CMO]B:202 |
2 |
1 |
137 |
cf |
[HEM]B:201 |
x,y,z |
1_555 |
17 |
1 |
839 |
47.0 |
-2.1 |
0.500 |
0 |
0 |
0 |
0.041 |
27 |
31 |
|
[CMO]D:202 |
2 |
1 |
137 |
cf |
[HEM]D:201 |
x,y,z |
1_555 |
18 |
1 |
794 |
45.8 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.010 |
28 |
32 |
|
[CMO]A:202 |
2 |
1 |
137 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
18 |
1 |
810 |
45.4 |
-1.8 |
0.500 |
0 |
0 |
0 |
0.035 |
29 |
33 |
|
A |
5 |
3 |
7440 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
8236 |
44.7 |
0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[CMO]C:202 |
2 |
1 |
138 |
cf |
[HEM]C:201 |
x,y,z |
1_555 |
17 |
1 |
825 |
44.7 |
-1.8 |
0.500 |
0 |
0 |
0 |
0.008 |
31 |
35 |
|
D |
3 |
2 |
8236 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
7966 |
15.9 |
-0.4 |
0.304 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
C |
2 |
1 |
7692 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
7966 |
2.8 |
-0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
A |
1 |
1 |
7440 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
7966 |
1.0 |
-0.0 |
0.664 |
0 |
0 |
0 |
0.000 |
|