| ## |
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 |
|
C |
85 |
23 |
7807 |
◊ |
B |
x,y,z |
1_555 |
86 |
23 |
7870 |
869.1 |
-11.3 |
0.333 |
7 |
0 |
0 |
0.243 |
2 |
|
D |
87 |
23 |
7818 |
◊ |
A |
x,y,z |
1_555 |
86 |
23 |
7856 |
864.3 |
-11.2 |
0.341 |
5 |
0 |
0 |
0.243 |
| Average: |
866.7 |
-11.3 |
0.337 |
6 |
0 |
0 |
0.243 |
| 2 |
3 |
|
D |
78 |
16 |
7818 |
◊ |
B |
x,y,z |
1_555 |
75 |
15 |
7870 |
666.3 |
-3.0 |
0.809 |
7 |
3 |
0 |
0.093 |
4 |
|
C |
79 |
16 |
7807 |
◊ |
A |
x,y,z |
1_555 |
72 |
15 |
7856 |
665.6 |
-2.8 |
0.814 |
7 |
3 |
0 |
0.093 |
| Average: |
665.9 |
-2.9 |
0.811 |
7 |
3 |
0 |
0.093 |
| 3 |
5 |
|
[HEM]D:147 |
42 |
1 |
832 |
f |
D |
x,y,z |
1_555 |
67 |
27 |
7818 |
556.6 |
-19.1 |
0.337 |
0 |
0 |
0 |
0.657 |
6 |
|
[HEM]C:147 |
42 |
1 |
830 |
f |
C |
x,y,z |
1_555 |
69 |
27 |
7807 |
555.5 |
-19.1 |
0.343 |
0 |
0 |
0 |
0.657 |
7 |
|
[HEM]B:147 |
43 |
1 |
796 |
f |
B |
x,y,z |
1_555 |
66 |
26 |
7870 |
552.2 |
-19.3 |
0.292 |
0 |
0 |
0 |
0.657 |
8 |
|
[HEM]A:147 |
43 |
1 |
793 |
f |
A |
x,y,z |
1_555 |
67 |
26 |
7856 |
550.3 |
-19.2 |
0.297 |
0 |
0 |
0 |
0.657 |
| Average: |
553.7 |
-19.2 |
0.317 |
0 |
0 |
0 |
0.657 |
| 4 |
9 |
|
D |
47 |
11 |
7818 |
◊ |
C |
x,y,z |
1_555 |
47 |
11 |
7807 |
409.7 |
-2.7 |
0.733 |
6 |
0 |
0 |
0.060 |
10 |
|
B |
38 |
12 |
7870 |
◊ |
A |
x,y,z |
1_555 |
41 |
12 |
7856 |
358.6 |
1.2 |
0.880 |
8 |
4 |
0 |
0.060 |
| Average: |
384.1 |
-0.7 |
0.807 |
7 |
2 |
0 |
0.060 |
| 5 |
11 |
|
D |
32 |
11 |
7818 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
29 |
9 |
7856 |
284.6 |
-1.4 |
0.708 |
1 |
2 |
0 |
0.000 |
| 6 |
12 |
|
C |
29 |
9 |
7807 |
◊ |
D |
x-1,y,z |
1_455 |
27 |
9 |
7818 |
231.2 |
-1.0 |
0.738 |
3 |
1 |
0 |
0.000 |
| 7 |
13 |
|
C |
22 |
7 |
7807 |
◊ |
B |
x,y,z-1 |
1_554 |
22 |
8 |
7870 |
228.4 |
1.9 |
0.909 |
6 |
3 |
0 |
0.000 |
| 8 |
14 |
|
C |
25 |
8 |
7807 |
x |
C |
-x,y-1/2,-z |
2_545 |
27 |
8 |
7807 |
226.8 |
-2.5 |
0.514 |
1 |
1 |
0 |
0.000 |
| 9 |
15 |
|
B |
21 |
6 |
7870 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
10 |
7856 |
186.6 |
-2.7 |
0.472 |
1 |
0 |
0 |
0.000 |
| 10 |
16 |
|
C |
22 |
6 |
7807 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
17 |
6 |
7856 |
167.8 |
0.3 |
0.804 |
1 |
1 |
0 |
0.000 |
| 11 |
17 |
|
B |
16 |
6 |
7870 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
7 |
3 |
7856 |
75.4 |
-0.1 |
0.645 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[CMO]A:148 |
2 |
1 |
135 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
7856 |
64.3 |
-1.0 |
0.671 |
1 |
0 |
0 |
0.024 |
| 13 |
19 |
|
[CMO]D:148 |
2 |
1 |
136 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
7818 |
64.2 |
-0.9 |
0.713 |
1 |
0 |
0 |
0.023 |
| 14 |
20 |
|
[CMO]B:148 |
2 |
1 |
135 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
7870 |
64.1 |
-1.0 |
0.665 |
1 |
0 |
0 |
0.024 |
| 15 |
21 |
|
[CMO]C:148 |
2 |
1 |
135 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
7807 |
63.7 |
-0.9 |
0.713 |
1 |
0 |
0 |
0.022 |
| 16 |
22 |
|
D |
8 |
4 |
7818 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
9 |
5 |
7818 |
62.9 |
-0.1 |
0.693 |
1 |
0 |
0 |
0.000 |
| 17 |
23 |
|
D |
3 |
2 |
7818 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
5 |
7856 |
61.4 |
-0.9 |
0.384 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[HEM]D:147 |
4 |
1 |
832 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
9 |
4 |
7856 |
55.4 |
-3.1 |
0.337 |
1 |
0 |
0 |
0.000 |
| 19 |
25 |
|
D |
8 |
3 |
7818 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
7856 |
49.5 |
-0.1 |
0.705 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[CMO]C:148 |
2 |
1 |
135 |
cf |
[HEM]C:147 |
x,y,z |
1_555 |
16 |
1 |
830 |
44.8 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.033 |
| 21 |
27 |
|
[CMO]A:148 |
2 |
1 |
135 |
cf |
[HEM]A:147 |
x,y,z |
1_555 |
17 |
1 |
793 |
44.6 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.034 |
| 22 |
28 |
|
[CMO]D:148 |
2 |
1 |
136 |
cf |
[HEM]D:147 |
x,y,z |
1_555 |
16 |
1 |
832 |
44.3 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.032 |
| 23 |
29 |
|
[CMO]B:148 |
2 |
1 |
135 |
cf |
[HEM]B:147 |
x,y,z |
1_555 |
18 |
1 |
796 |
44.0 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.032 |
| 24 |
30 |
|
[HEM]B:147 |
4 |
1 |
796 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
3 |
7856 |
42.2 |
-1.0 |
0.693 |
1 |
0 |
0 |
0.000 |
| 25 |
31 |
|
C |
2 |
2 |
7807 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
6 |
3 |
7818 |
27.3 |
-0.6 |
0.344 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
B |
3 |
3 |
7870 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
7818 |
19.0 |
-0.4 |
0.395 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[HEM]B:147 |
1 |
1 |
796 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7818 |
4.2 |
0.1 |
0.872 |
0 |
0 |
0 |
0.000 |
34 |
|
[HEM]A:147 |
1 |
1 |
793 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
7807 |
4.1 |
0.1 |
0.872 |
0 |
0 |
0 |
0.000 |
| Average: |
4.2 |
0.1 |
0.872 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
B |
1 |
1 |
7870 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
7870 |
3.2 |
0.1 |
0.709 |
0 |
0 |
0 |
0.000 |
|