## |
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 |
82 |
24 |
8034 |
◊ |
C |
x,y,z |
1_555 |
86 |
21 |
7794 |
833.3 |
-10.6 |
0.208 |
6 |
1 |
0 |
0.232 |
2 |
|
B |
83 |
24 |
8060 |
◊ |
A |
x,y,z |
1_555 |
85 |
20 |
7919 |
825.6 |
-10.5 |
0.231 |
7 |
1 |
0 |
0.232 |
Average: |
829.4 |
-10.5 |
0.219 |
7 |
1 |
0 |
0.232 |
2 |
3 |
|
[HEM]D:202 |
43 |
1 |
826 |
f |
D |
x,y,z |
1_555 |
70 |
26 |
8034 |
586.0 |
-20.1 |
0.282 |
1 |
0 |
0 |
0.340 |
4 |
|
[HEM]B:202 |
43 |
1 |
830 |
f |
B |
x,y,z |
1_555 |
65 |
25 |
8060 |
565.9 |
-19.7 |
0.208 |
0 |
0 |
0 |
0.340 |
Average: |
576.0 |
-19.9 |
0.245 |
1 |
0 |
0 |
0.340 |
3 |
5 |
|
[HEM]A:202 |
42 |
1 |
822 |
f |
A |
x,y,z |
1_555 |
68 |
26 |
7919 |
581.6 |
-19.1 |
0.324 |
2 |
0 |
0 |
0.337 |
6 |
|
[HEM]C:202 |
43 |
1 |
829 |
f |
C |
x,y,z |
1_555 |
67 |
26 |
7794 |
577.5 |
-18.7 |
0.366 |
2 |
0 |
0 |
0.337 |
Average: |
579.6 |
-18.9 |
0.345 |
2 |
0 |
0 |
0.337 |
4 |
7 |
|
D |
62 |
15 |
8034 |
◊ |
A |
x,y,z |
1_555 |
58 |
16 |
7919 |
542.6 |
-2.5 |
0.635 |
4 |
0 |
0 |
0.065 |
8 |
|
B |
60 |
15 |
8060 |
◊ |
C |
x,y,z |
1_555 |
65 |
16 |
7794 |
528.1 |
-2.6 |
0.662 |
4 |
0 |
0 |
0.065 |
Average: |
535.3 |
-2.6 |
0.648 |
4 |
0 |
0 |
0.065 |
5 |
9 |
|
C |
39 |
10 |
7794 |
◊ |
A |
x,y,z |
1_555 |
38 |
10 |
7919 |
428.7 |
2.6 |
0.898 |
12 |
4 |
0 |
0.025 |
6 |
10 |
|
D |
40 |
10 |
8034 |
x |
D |
x-1/2,-y+1/2,-z-1 |
4_454 |
40 |
12 |
8034 |
327.7 |
-1.4 |
0.633 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
A |
28 |
6 |
7919 |
◊ |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
31 |
6 |
8034 |
284.1 |
-3.5 |
0.358 |
1 |
1 |
0 |
0.000 |
8 |
12 |
|
B |
21 |
6 |
8060 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
25 |
6 |
8034 |
171.2 |
-0.4 |
0.630 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
A |
15 |
6 |
7919 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
14 |
5 |
8060 |
145.4 |
-0.3 |
0.591 |
1 |
2 |
0 |
0.000 |
10 |
14 |
|
A |
17 |
6 |
7919 |
◊ |
C |
x-1,y,z |
1_455 |
16 |
5 |
7794 |
118.5 |
-1.8 |
0.444 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[GOL]D:203 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
8034 |
113.2 |
0.4 |
0.667 |
4 |
0 |
0 |
0.023 |
12 |
16 |
|
A |
13 |
4 |
7919 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
5 |
8034 |
103.4 |
-1.9 |
0.345 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
D |
16 |
7 |
8034 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
8060 |
83.3 |
0.8 |
0.756 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[ACE]A:0 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
7919 |
74.3 |
-0.4 |
0.773 |
1 |
0 |
0 |
0.014 |
19 |
|
[ACE]C:0 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
11 |
4 |
7794 |
73.6 |
-0.4 |
0.777 |
1 |
0 |
0 |
0.014 |
Average: |
74.0 |
-0.4 |
0.775 |
1 |
0 |
0 |
0.014 |
15 |
20 |
|
[CMO]A:201 |
2 |
1 |
135 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
7919 |
64.6 |
-0.7 |
0.690 |
0 |
0 |
0 |
0.013 |
16 |
21 |
|
[CMO]D:201 |
2 |
1 |
135 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
8034 |
64.1 |
-0.1 |
0.785 |
0 |
0 |
0 |
0.001 |
17 |
22 |
|
[CMO]B:201 |
2 |
1 |
135 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
8060 |
64.0 |
-0.1 |
0.787 |
0 |
0 |
0 |
0.002 |
18 |
23 |
|
[CMO]C:201 |
2 |
1 |
136 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
7794 |
63.5 |
-0.7 |
0.701 |
0 |
0 |
0 |
0.011 |
19 |
24 |
|
C |
5 |
3 |
7794 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
10 |
4 |
7919 |
58.9 |
0.8 |
0.733 |
1 |
2 |
0 |
0.000 |
20 |
25 |
|
[ACE]A:0 |
2 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
7794 |
58.1 |
-1.1 |
0.663 |
0 |
0 |
0 |
0.017 |
26 |
|
[ACE]C:0 |
2 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
7919 |
56.7 |
-1.1 |
0.654 |
0 |
0 |
0 |
0.017 |
Average: |
57.4 |
-1.1 |
0.659 |
0 |
0 |
0 |
0.017 |
21 |
27 |
|
A |
5 |
1 |
7919 |
x |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
6 |
3 |
7919 |
55.7 |
0.3 |
0.737 |
1 |
1 |
0 |
0.000 |
22 |
28 |
|
C |
8 |
4 |
7794 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
5 |
8060 |
55.2 |
-0.5 |
0.491 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[HEM]C:202 |
15 |
1 |
829 |
cf |
[CMO]C:201 |
x,y,z |
1_555 |
2 |
1 |
136 |
44.6 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.033 |
24 |
30 |
|
[HEM]A:202 |
18 |
1 |
822 |
cf |
[CMO]A:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
44.3 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.034 |
25 |
31 |
|
[HEM]B:202 |
18 |
1 |
830 |
f |
[CMO]B:201 |
x,y,z |
1_555 |
1 |
1 |
135 |
43.1 |
-2.1 |
0.707 |
0 |
0 |
0 |
0.035 |
26 |
32 |
|
[HEM]D:202 |
14 |
1 |
826 |
f |
[CMO]D:201 |
x,y,z |
1_555 |
2 |
1 |
135 |
43.1 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.033 |
27 |
33 |
|
[GOL]D:203 |
3 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7919 |
39.9 |
0.2 |
0.606 |
1 |
0 |
0 |
0.002 |
28 |
34 |
|
C |
3 |
2 |
7794 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
8034 |
11.4 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
C |
2 |
2 |
7794 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
8060 |
10.5 |
0.5 |
0.820 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
A |
2 |
1 |
7919 |
◊ |
[HEM]D:202 |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
1 |
826 |
10.2 |
-0.2 |
0.701 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[HEM]A:202 |
1 |
1 |
822 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
7794 |
9.9 |
-0.7 |
0.252 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
A |
2 |
1 |
7919 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
8060 |
8.1 |
0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
A |
1 |
1 |
7919 |
◊ |
D |
x-1/2,-y+1/2,-z-1 |
4_454 |
2 |
1 |
8034 |
5.5 |
0.1 |
0.788 |
0 |
0 |
0 |
0.000 |
|