## |
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 |
271 |
70 |
20372 |
◊ |
A |
x,y,z |
1_555 |
269 |
69 |
20331 |
2651.9 |
-39.1 |
0.006 |
39 |
10 |
0 |
0.501 |
2 |
2 |
|
A |
68 |
20 |
20331 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
70 |
19 |
20372 |
666.9 |
-1.6 |
0.660 |
10 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
43 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
79 |
24 |
20372 |
525.7 |
-18.3 |
0.275 |
1 |
0 |
0 |
0.322 |
4 |
|
[HEM]A:750 |
43 |
1 |
822 |
f |
A |
x,y,z |
1_555 |
76 |
24 |
20331 |
524.8 |
-18.0 |
0.295 |
1 |
0 |
0 |
0.322 |
Average: |
525.3 |
-18.2 |
0.285 |
1 |
0 |
0 |
0.322 |
4 |
5 |
|
B |
51 |
15 |
20372 |
x |
B |
x-1,y,z |
1_455 |
54 |
15 |
20372 |
457.4 |
0.8 |
0.674 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
[XJH]B:800 |
26 |
1 |
601 |
f |
B |
x,y,z |
1_555 |
52 |
21 |
20372 |
347.0 |
1.0 |
0.578 |
3 |
0 |
0 |
0.003 |
6 |
7 |
|
[XJH]A:800 |
25 |
1 |
608 |
f |
A |
x,y,z |
1_555 |
51 |
21 |
20331 |
327.0 |
-0.6 |
0.484 |
3 |
0 |
0 |
0.017 |
7 |
8 |
|
B |
39 |
11 |
20372 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
31 |
8 |
20331 |
286.9 |
-1.5 |
0.551 |
2 |
1 |
0 |
0.000 |
8 |
9 |
|
[H4B]B:760 |
17 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
28 |
8 |
20372 |
202.9 |
1.9 |
0.451 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
401 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
20331 |
201.7 |
1.9 |
0.426 |
2 |
0 |
0 |
0.000 |
Average: |
202.3 |
1.9 |
0.438 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
A |
23 |
11 |
20331 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
8 |
20372 |
185.4 |
0.8 |
0.743 |
2 |
3 |
0 |
0.000 |
10 |
12 |
|
[XJH]B:800 |
18 |
1 |
601 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
32 |
1 |
822 |
153.1 |
-5.1 |
0.520 |
0 |
0 |
0 |
0.044 |
11 |
13 |
|
[XJH]A:800 |
17 |
1 |
608 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
30 |
1 |
822 |
148.1 |
-5.1 |
0.496 |
0 |
0 |
0 |
0.044 |
12 |
14 |
|
[H4B]B:760 |
13 |
1 |
401 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
20331 |
121.6 |
-0.1 |
0.271 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]A:760 |
13 |
1 |
401 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
20372 |
120.0 |
-0.0 |
0.272 |
1 |
0 |
0 |
0.009 |
Average: |
120.8 |
-0.1 |
0.271 |
1 |
0 |
0 |
0.009 |
13 |
16 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20372 |
113.8 |
-1.4 |
0.475 |
1 |
0 |
0 |
0.016 |
14 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
20331 |
110.5 |
-1.3 |
0.493 |
1 |
0 |
0 |
0.015 |
15 |
18 |
|
[H4B]A:760 |
4 |
1 |
401 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
822 |
42.1 |
-1.2 |
0.446 |
1 |
0 |
0 |
0.032 |
19 |
|
[H4B]B:760 |
4 |
1 |
401 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
822 |
42.0 |
-1.2 |
0.455 |
2 |
0 |
0 |
0.032 |
Average: |
42.1 |
-1.2 |
0.451 |
2 |
0 |
0 |
0.032 |
16 |
20 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
822 |
37.0 |
-1.1 |
0.749 |
0 |
0 |
0 |
0.010 |
17 |
21 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
822 |
35.1 |
-1.1 |
0.754 |
0 |
0 |
0 |
0.009 |
18 |
22 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
20331 |
34.9 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.260 |
23 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20372 |
34.2 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.260 |
Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.260 |
19 |
24 |
|
[XJH]A:800 |
3 |
1 |
608 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
20372 |
33.7 |
0.6 |
0.479 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
B |
2 |
1 |
20372 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
3 |
20372 |
33.1 |
1.3 |
0.906 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[XJH]B:800 |
2 |
1 |
601 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
20331 |
23.4 |
0.1 |
0.487 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[XJH]A:800 |
5 |
1 |
608 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
401 |
6.3 |
-0.2 |
0.227 |
0 |
0 |
0 |
0.002 |
23 |
28 |
|
A |
1 |
1 |
20331 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20331 |
6.0 |
-0.2 |
0.305 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
A |
1 |
1 |
20331 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
20372 |
4.6 |
-0.0 |
0.517 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
B |
1 |
1 |
20372 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
20331 |
0.8 |
-0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
|