## |
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 |
269 |
71 |
20076 |
◊ |
A |
x,y,z |
1_555 |
260 |
67 |
19972 |
2605.7 |
-37.6 |
0.008 |
42 |
10 |
0 |
0.452 |
2 |
2 |
|
A |
74 |
19 |
19972 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
70 |
19 |
20076 |
666.8 |
-1.4 |
0.688 |
9 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:750 |
42 |
1 |
833 |
f |
A |
x,y,z |
1_555 |
79 |
24 |
19972 |
511.1 |
-18.1 |
0.286 |
2 |
0 |
0 |
0.295 |
4 |
|
[HEM]B:750 |
42 |
1 |
831 |
f |
B |
x,y,z |
1_555 |
77 |
24 |
20076 |
509.0 |
-17.9 |
0.304 |
2 |
0 |
0 |
0.295 |
Average: |
510.0 |
-18.0 |
0.295 |
2 |
0 |
0 |
0.295 |
4 |
5 |
|
B |
51 |
15 |
20076 |
x |
B |
x-1,y,z |
1_455 |
52 |
16 |
20076 |
491.0 |
0.5 |
0.730 |
5 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
39 |
11 |
20076 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
31 |
9 |
19972 |
321.2 |
-1.5 |
0.539 |
3 |
2 |
0 |
0.000 |
6 |
7 |
|
[M94]A:800 |
22 |
1 |
558 |
f |
A |
x,y,z |
1_555 |
41 |
17 |
19972 |
307.6 |
-3.0 |
0.348 |
3 |
0 |
0 |
0.066 |
8 |
|
[M94]B:800 |
22 |
1 |
557 |
f |
B |
x,y,z |
1_555 |
45 |
19 |
20076 |
307.6 |
-2.8 |
0.393 |
3 |
0 |
0 |
0.066 |
Average: |
307.6 |
-2.9 |
0.370 |
3 |
0 |
0 |
0.066 |
7 |
9 |
|
A |
27 |
12 |
19972 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
8 |
20076 |
206.9 |
0.1 |
0.671 |
1 |
2 |
0 |
0.000 |
8 |
10 |
|
[H4B]A:760 |
17 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
30 |
10 |
19972 |
185.4 |
1.6 |
0.482 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]B:760 |
17 |
1 |
395 |
f |
B |
x,y,z |
1_555 |
30 |
10 |
20076 |
184.1 |
1.7 |
0.471 |
2 |
0 |
0 |
0.000 |
Average: |
184.8 |
1.7 |
0.477 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[M94]A:800 |
23 |
1 |
558 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
36 |
1 |
833 |
168.1 |
-6.1 |
0.632 |
0 |
0 |
0 |
0.100 |
13 |
|
[M94]B:800 |
23 |
1 |
557 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
35 |
1 |
831 |
168.0 |
-6.2 |
0.644 |
1 |
0 |
0 |
0.100 |
Average: |
168.0 |
-6.2 |
0.638 |
1 |
0 |
0 |
0.100 |
10 |
14 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20076 |
113.9 |
-1.2 |
0.513 |
2 |
0 |
0 |
0.017 |
11 |
15 |
|
[H4B]B:760 |
13 |
1 |
395 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
19972 |
113.2 |
-0.1 |
0.278 |
1 |
0 |
0 |
0.009 |
16 |
|
[H4B]A:760 |
13 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20076 |
112.2 |
-0.1 |
0.281 |
1 |
0 |
0 |
0.009 |
Average: |
112.7 |
-0.1 |
0.280 |
1 |
0 |
0 |
0.009 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
19972 |
111.3 |
-1.3 |
0.486 |
1 |
0 |
0 |
0.014 |
13 |
18 |
|
[H4B]A:760 |
5 |
1 |
395 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
833 |
42.4 |
-1.2 |
0.432 |
2 |
0 |
0 |
0.033 |
19 |
|
[H4B]B:760 |
4 |
1 |
395 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
831 |
41.6 |
-1.2 |
0.456 |
2 |
0 |
0 |
0.033 |
Average: |
42.0 |
-1.2 |
0.444 |
2 |
0 |
0 |
0.033 |
14 |
20 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20076 |
34.7 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.241 |
21 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19972 |
34.4 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.241 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.241 |
15 |
22 |
|
[M94]B:800 |
4 |
1 |
557 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
395 |
34.2 |
-0.4 |
0.251 |
1 |
0 |
0 |
0.014 |
23 |
|
[M94]A:800 |
3 |
1 |
558 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
395 |
33.0 |
-0.5 |
0.210 |
1 |
0 |
0 |
0.014 |
Average: |
33.6 |
-0.4 |
0.231 |
1 |
0 |
0 |
0.014 |
16 |
24 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
833 |
33.5 |
-1.0 |
0.756 |
0 |
0 |
0 |
0.008 |
17 |
25 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
831 |
29.9 |
-0.8 |
0.814 |
0 |
0 |
0 |
0.006 |
18 |
26 |
|
A |
3 |
3 |
19972 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
20076 |
23.3 |
-0.0 |
0.556 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
B |
1 |
1 |
20076 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
20076 |
22.0 |
1.2 |
0.905 |
0 |
0 |
0 |
0.000 |
|