## |
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 |
264 |
68 |
20123 |
◊ |
A |
x,y,z |
1_555 |
266 |
69 |
19969 |
2597.6 |
-39.9 |
0.005 |
36 |
10 |
0 |
0.494 |
2 |
2 |
|
A |
69 |
19 |
19969 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
70 |
19 |
20123 |
655.0 |
-0.6 |
0.743 |
20 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
42 |
1 |
818 |
f |
B |
x,y,z |
1_555 |
77 |
25 |
20123 |
524.9 |
-17.8 |
0.303 |
1 |
0 |
0 |
0.311 |
4 |
|
[HEM]A:750 |
42 |
1 |
813 |
f |
A |
x,y,z |
1_555 |
75 |
23 |
19969 |
524.1 |
-17.9 |
0.271 |
0 |
0 |
0 |
0.311 |
Average: |
524.5 |
-17.8 |
0.287 |
1 |
0 |
0 |
0.311 |
4 |
5 |
|
B |
53 |
15 |
20123 |
x |
B |
x-1,y,z |
1_455 |
53 |
14 |
20123 |
474.5 |
-0.1 |
0.688 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
41 |
11 |
20123 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
37 |
11 |
19969 |
326.4 |
-1.4 |
0.595 |
1 |
2 |
0 |
0.000 |
6 |
7 |
|
[6J0]B:800 |
24 |
1 |
576 |
f |
B |
x,y,z |
1_555 |
45 |
18 |
20123 |
305.0 |
-0.9 |
0.264 |
2 |
0 |
0 |
0.031 |
8 |
|
[6J0]A:800 |
24 |
1 |
575 |
f |
A |
x,y,z |
1_555 |
43 |
17 |
19969 |
304.7 |
-0.9 |
0.255 |
2 |
0 |
0 |
0.031 |
Average: |
304.9 |
-0.9 |
0.259 |
2 |
0 |
0 |
0.031 |
7 |
9 |
|
A |
28 |
10 |
19969 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
26 |
8 |
20123 |
222.8 |
0.6 |
0.745 |
1 |
1 |
0 |
0.000 |
8 |
10 |
|
[H4B]A:760 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
19969 |
197.5 |
1.8 |
0.445 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]B:760 |
17 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
20123 |
195.3 |
1.9 |
0.425 |
2 |
0 |
0 |
0.000 |
Average: |
196.4 |
1.9 |
0.435 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[6J0]B:800 |
12 |
1 |
576 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
28 |
1 |
818 |
137.8 |
-4.6 |
0.433 |
2 |
0 |
0 |
0.096 |
13 |
|
[6J0]A:800 |
10 |
1 |
575 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
26 |
1 |
813 |
135.3 |
-4.7 |
0.408 |
2 |
0 |
0 |
0.096 |
Average: |
136.6 |
-4.7 |
0.421 |
2 |
0 |
0 |
0.096 |
10 |
14 |
|
[H4B]B:760 |
13 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
19969 |
118.4 |
-0.1 |
0.251 |
1 |
0 |
0 |
0.010 |
15 |
|
[H4B]A:760 |
13 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20123 |
117.0 |
-0.1 |
0.264 |
1 |
0 |
0 |
0.010 |
Average: |
117.7 |
-0.1 |
0.257 |
1 |
0 |
0 |
0.010 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20123 |
114.4 |
-1.3 |
0.503 |
1 |
0 |
0 |
0.015 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
19969 |
111.3 |
-1.3 |
0.496 |
2 |
0 |
0 |
0.019 |
13 |
18 |
|
[H4B]A:760 |
4 |
1 |
398 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
813 |
41.3 |
-1.2 |
0.450 |
2 |
0 |
0 |
0.037 |
19 |
|
[H4B]B:760 |
4 |
1 |
397 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
818 |
41.0 |
-1.2 |
0.443 |
2 |
0 |
0 |
0.037 |
Average: |
41.2 |
-1.2 |
0.447 |
2 |
0 |
0 |
0.037 |
14 |
20 |
|
[6J0]B:800 |
2 |
1 |
576 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
19969 |
36.9 |
0.7 |
0.508 |
0 |
0 |
0 |
0.000 |
21 |
|
[6J0]A:800 |
2 |
1 |
575 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
20123 |
34.3 |
0.6 |
0.514 |
0 |
0 |
0 |
0.000 |
Average: |
35.6 |
0.7 |
0.511 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
813 |
36.6 |
-1.1 |
0.751 |
0 |
0 |
0 |
0.010 |
16 |
23 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20123 |
34.0 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.259 |
24 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19969 |
33.8 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.259 |
Average: |
33.9 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.259 |
17 |
25 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
818 |
33.4 |
-1.0 |
0.756 |
0 |
0 |
0 |
0.008 |
18 |
26 |
|
A |
5 |
3 |
19969 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
20123 |
26.5 |
0.3 |
0.718 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
B |
2 |
1 |
20123 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
20123 |
20.7 |
0.8 |
0.876 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[6J0]A:800 |
5 |
1 |
575 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
2 |
1 |
398 |
13.1 |
0.0 |
0.288 |
0 |
0 |
0 |
0.000 |
29 |
|
[6J0]B:800 |
2 |
1 |
576 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
2 |
1 |
397 |
13.0 |
0.1 |
0.334 |
0 |
0 |
0 |
0.000 |
Average: |
13.0 |
0.0 |
0.311 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
2 |
1 |
19969 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
19969 |
9.6 |
-0.3 |
0.293 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
A |
1 |
1 |
19969 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
19969 |
3.8 |
0.3 |
0.851 |
0 |
0 |
0 |
0.000 |
|