## |
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 |
267 |
68 |
20161 |
◊ |
A |
x,y,z |
1_555 |
268 |
68 |
20050 |
2645.9 |
-38.3 |
0.008 |
38 |
10 |
0 |
0.488 |
2 |
2 |
|
A |
70 |
19 |
20050 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
72 |
21 |
20161 |
672.8 |
-0.8 |
0.733 |
12 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
43 |
1 |
812 |
f |
B |
x,y,z |
1_555 |
79 |
23 |
20161 |
538.4 |
-18.6 |
0.322 |
1 |
0 |
0 |
0.324 |
4 |
|
[HEM]A:750 |
43 |
1 |
810 |
f |
A |
x,y,z |
1_555 |
78 |
23 |
20050 |
529.5 |
-18.2 |
0.313 |
1 |
0 |
0 |
0.324 |
Average: |
534.0 |
-18.4 |
0.318 |
1 |
0 |
0 |
0.324 |
4 |
5 |
|
B |
48 |
14 |
20161 |
x |
B |
x-1,y,z |
1_455 |
53 |
15 |
20161 |
476.0 |
-0.2 |
0.641 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
34 |
11 |
20161 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
36 |
10 |
20050 |
289.3 |
-3.7 |
0.329 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
[VUR]B:800 |
13 |
1 |
388 |
f |
B |
x,y,z |
1_555 |
39 |
17 |
20161 |
220.5 |
-0.0 |
0.610 |
7 |
0 |
0 |
0.051 |
8 |
|
[VUR]A:800 |
13 |
1 |
390 |
f |
A |
x,y,z |
1_555 |
37 |
17 |
20050 |
218.5 |
-0.1 |
0.616 |
6 |
0 |
0 |
0.051 |
Average: |
219.5 |
-0.1 |
0.613 |
7 |
0 |
0 |
0.051 |
7 |
9 |
|
[H4B]B:760 |
17 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
20161 |
210.2 |
2.1 |
0.482 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
401 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
20050 |
208.7 |
2.1 |
0.478 |
2 |
0 |
0 |
0.000 |
Average: |
209.5 |
2.1 |
0.480 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
26 |
11 |
20050 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
7 |
20161 |
193.5 |
-0.9 |
0.588 |
0 |
1 |
0 |
0.000 |
9 |
12 |
|
[H4B]A:760 |
14 |
1 |
401 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20161 |
121.4 |
-0.2 |
0.245 |
1 |
0 |
0 |
0.011 |
13 |
|
[H4B]B:760 |
13 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
20050 |
119.8 |
-0.2 |
0.261 |
1 |
0 |
0 |
0.011 |
Average: |
120.6 |
-0.2 |
0.253 |
1 |
0 |
0 |
0.011 |
10 |
14 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
20161 |
119.0 |
-0.9 |
0.574 |
1 |
0 |
0 |
0.011 |
11 |
15 |
|
[VUR]A:800 |
7 |
1 |
390 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
27 |
1 |
810 |
111.6 |
-4.2 |
0.546 |
1 |
0 |
0 |
0.076 |
16 |
|
[VUR]B:800 |
9 |
1 |
388 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
28 |
1 |
812 |
111.2 |
-3.8 |
0.586 |
1 |
0 |
0 |
0.076 |
Average: |
111.4 |
-4.0 |
0.566 |
1 |
0 |
0 |
0.076 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
20050 |
109.0 |
-1.3 |
0.497 |
1 |
0 |
0 |
0.015 |
13 |
18 |
|
[H4B]A:760 |
4 |
1 |
401 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
810 |
43.4 |
-1.1 |
0.470 |
2 |
0 |
0 |
0.035 |
19 |
|
[H4B]B:760 |
5 |
1 |
397 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
812 |
42.2 |
-1.2 |
0.439 |
2 |
0 |
0 |
0.035 |
Average: |
42.8 |
-1.1 |
0.454 |
2 |
0 |
0 |
0.035 |
14 |
20 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
810 |
39.1 |
-1.2 |
0.749 |
0 |
0 |
0 |
0.010 |
15 |
21 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20161 |
34.7 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.259 |
22 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20050 |
34.1 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.259 |
Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.259 |
16 |
23 |
|
A |
5 |
2 |
20050 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
20161 |
26.7 |
0.2 |
0.732 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
B |
3 |
2 |
20161 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
3 |
20161 |
26.6 |
1.1 |
0.849 |
1 |
0 |
0 |
0.000 |
18 |
25 |
|
[ACT]B:860 |
2 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
3 |
1 |
812 |
22.7 |
-0.0 |
0.807 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
A |
1 |
1 |
20050 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20050 |
3.0 |
-0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
|