## |
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 |
273 |
71 |
20206 |
◊ |
A |
x,y,z |
1_555 |
269 |
69 |
20103 |
2634.2 |
-38.9 |
0.007 |
37 |
9 |
0 |
0.414 |
2 |
2 |
|
A |
65 |
19 |
20103 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
20 |
20206 |
656.9 |
-1.4 |
0.674 |
16 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:750 |
43 |
1 |
821 |
f |
A |
x,y,z |
1_555 |
80 |
25 |
20103 |
521.7 |
-17.8 |
0.287 |
0 |
0 |
0 |
0.257 |
4 |
|
[HEM]B:750 |
43 |
1 |
813 |
f |
B |
x,y,z |
1_555 |
76 |
24 |
20206 |
519.0 |
-17.4 |
0.289 |
0 |
0 |
0 |
0.257 |
Average: |
520.4 |
-17.6 |
0.288 |
0 |
0 |
0 |
0.257 |
4 |
5 |
|
B |
47 |
13 |
20206 |
x |
B |
x-1,y,z |
1_455 |
56 |
15 |
20206 |
480.2 |
0.1 |
0.741 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[X2D]B:800 |
27 |
1 |
683 |
f |
B |
x,y,z |
1_555 |
57 |
23 |
20206 |
392.0 |
-6.6 |
0.479 |
1 |
0 |
0 |
0.107 |
7 |
|
[X2D]A:800 |
27 |
1 |
678 |
f |
A |
x,y,z |
1_555 |
60 |
22 |
20103 |
388.1 |
-7.2 |
0.448 |
1 |
0 |
0 |
0.107 |
Average: |
390.1 |
-6.9 |
0.463 |
1 |
0 |
0 |
0.107 |
6 |
8 |
|
B |
41 |
11 |
20206 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
10 |
20103 |
326.7 |
-1.6 |
0.553 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
31 |
13 |
20103 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
10 |
20206 |
214.3 |
-1.2 |
0.552 |
1 |
2 |
0 |
0.000 |
8 |
10 |
|
[H4B]A:760 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
28 |
8 |
20103 |
187.7 |
1.4 |
0.412 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]B:760 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
28 |
8 |
20206 |
186.8 |
1.7 |
0.440 |
2 |
0 |
0 |
0.000 |
Average: |
187.2 |
1.6 |
0.426 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[X2D]B:800 |
20 |
1 |
683 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
33 |
1 |
813 |
168.5 |
-7.7 |
0.735 |
4 |
0 |
0 |
0.137 |
13 |
|
[X2D]A:800 |
19 |
1 |
678 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
32 |
1 |
821 |
167.9 |
-7.6 |
0.725 |
4 |
0 |
0 |
0.137 |
Average: |
168.2 |
-7.6 |
0.730 |
4 |
0 |
0 |
0.137 |
10 |
14 |
|
[H4B]B:760 |
13 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
20103 |
117.5 |
-0.2 |
0.267 |
1 |
0 |
0 |
0.008 |
15 |
|
[H4B]A:760 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
20206 |
115.2 |
-0.1 |
0.287 |
1 |
0 |
0 |
0.008 |
Average: |
116.4 |
-0.1 |
0.277 |
1 |
0 |
0 |
0.008 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
20206 |
114.3 |
-1.4 |
0.500 |
1 |
0 |
0 |
0.013 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
20103 |
112.8 |
-1.4 |
0.479 |
1 |
0 |
0 |
0.013 |
13 |
18 |
|
[H4B]B:760 |
3 |
1 |
398 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
813 |
37.1 |
-1.1 |
0.460 |
2 |
0 |
0 |
0.029 |
19 |
|
[H4B]A:760 |
3 |
1 |
397 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
821 |
36.8 |
-1.1 |
0.458 |
2 |
0 |
0 |
0.029 |
Average: |
36.9 |
-1.1 |
0.459 |
2 |
0 |
0 |
0.029 |
14 |
20 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20103 |
34.5 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.229 |
21 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20206 |
34.3 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.229 |
Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.229 |
15 |
22 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
821 |
34.1 |
-1.1 |
0.756 |
0 |
0 |
0 |
0.008 |
16 |
23 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
813 |
33.5 |
-1.0 |
0.753 |
0 |
0 |
0 |
0.007 |
17 |
24 |
|
[X2D]A:800 |
3 |
1 |
678 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
397 |
32.4 |
0.4 |
0.347 |
1 |
0 |
0 |
0.001 |
25 |
|
[X2D]B:800 |
4 |
1 |
683 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
398 |
31.7 |
0.4 |
0.345 |
1 |
0 |
0 |
0.001 |
Average: |
32.0 |
0.4 |
0.346 |
1 |
0 |
0 |
0.001 |
18 |
26 |
|
[X2D]B:800 |
1 |
1 |
683 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
20103 |
30.7 |
-1.0 |
0.315 |
0 |
0 |
0 |
0.014 |
27 |
|
[X2D]A:800 |
2 |
1 |
678 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20206 |
29.5 |
-0.9 |
0.295 |
0 |
0 |
0 |
0.014 |
Average: |
30.1 |
-1.0 |
0.305 |
0 |
0 |
0 |
0.014 |
19 |
28 |
|
A |
5 |
2 |
20103 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
20206 |
17.5 |
0.7 |
0.818 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
B |
2 |
1 |
20206 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
2 |
20206 |
13.3 |
0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
2 |
1 |
20103 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20103 |
12.5 |
-0.4 |
0.240 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
B |
1 |
1 |
20206 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
20103 |
2.3 |
-0.1 |
0.423 |
0 |
0 |
0 |
0.000 |
|