## |
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 |
265 |
69 |
20187 |
◊ |
A |
x,y,z |
1_555 |
257 |
67 |
19940 |
2593.7 |
-38.3 |
0.007 |
37 |
8 |
0 |
0.437 |
2 |
2 |
|
A |
71 |
19 |
19940 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
19 |
20187 |
654.0 |
-0.7 |
0.739 |
15 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
41 |
1 |
825 |
f |
B |
x,y,z |
1_555 |
77 |
22 |
20187 |
527.4 |
-19.1 |
0.273 |
1 |
0 |
0 |
0.297 |
4 |
|
[HEM]A:750 |
41 |
1 |
830 |
f |
A |
x,y,z |
1_555 |
79 |
23 |
19940 |
514.8 |
-18.0 |
0.341 |
1 |
0 |
0 |
0.297 |
Average: |
521.1 |
-18.5 |
0.307 |
1 |
0 |
0 |
0.297 |
4 |
5 |
|
B |
51 |
15 |
20187 |
x |
B |
x-1,y,z |
1_455 |
53 |
14 |
20187 |
482.5 |
1.4 |
0.790 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
42 |
12 |
20187 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
9 |
19940 |
318.8 |
-1.7 |
0.551 |
2 |
3 |
0 |
0.000 |
6 |
7 |
|
[XEB]A:800 |
23 |
1 |
556 |
f |
A |
x,y,z |
1_555 |
45 |
18 |
19940 |
302.8 |
-6.4 |
0.455 |
3 |
0 |
0 |
0.060 |
7 |
8 |
|
[XEB]B:800 |
23 |
1 |
557 |
f |
B |
x,y,z |
1_555 |
37 |
16 |
20187 |
294.2 |
-4.7 |
0.381 |
3 |
0 |
0 |
0.047 |
8 |
9 |
|
A |
25 |
10 |
19940 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
8 |
20187 |
202.4 |
0.8 |
0.754 |
2 |
4 |
0 |
0.000 |
9 |
10 |
|
[H4B]B:760 |
17 |
1 |
394 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
20187 |
195.8 |
1.6 |
0.445 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
396 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
19940 |
184.7 |
2.2 |
0.495 |
2 |
0 |
0 |
0.000 |
Average: |
190.3 |
1.9 |
0.470 |
2 |
0 |
0 |
0.000 |
10 |
12 |
|
[XEB]A:800 |
21 |
1 |
556 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
35 |
1 |
830 |
163.8 |
-5.5 |
0.899 |
1 |
0 |
0 |
0.046 |
11 |
13 |
|
[XEB]B:800 |
20 |
1 |
557 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
34 |
1 |
825 |
160.0 |
-5.3 |
0.881 |
0 |
0 |
0 |
0.041 |
12 |
14 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
20187 |
118.0 |
-1.0 |
0.575 |
1 |
0 |
0 |
0.011 |
13 |
15 |
|
[H4B]B:760 |
13 |
1 |
394 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
19940 |
115.8 |
-0.2 |
0.271 |
1 |
0 |
0 |
0.010 |
16 |
|
[H4B]A:760 |
13 |
1 |
396 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20187 |
115.6 |
-0.2 |
0.261 |
1 |
0 |
0 |
0.010 |
Average: |
115.7 |
-0.2 |
0.266 |
1 |
0 |
0 |
0.010 |
14 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
19940 |
112.5 |
-1.3 |
0.485 |
1 |
0 |
0 |
0.014 |
15 |
18 |
|
[H4B]B:760 |
5 |
1 |
394 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
825 |
43.5 |
-1.2 |
0.440 |
2 |
0 |
0 |
0.028 |
19 |
|
[H4B]A:760 |
4 |
1 |
396 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
6 |
1 |
830 |
41.3 |
-1.0 |
0.522 |
1 |
0 |
0 |
0.028 |
Average: |
42.4 |
-1.1 |
0.481 |
2 |
0 |
0 |
0.028 |
16 |
20 |
|
[ACT]A:860 |
2 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
830 |
36.7 |
-1.2 |
0.691 |
0 |
0 |
0 |
0.009 |
17 |
21 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19940 |
34.5 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.241 |
22 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20187 |
34.3 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.241 |
Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.241 |
18 |
23 |
|
[XEB]A:800 |
3 |
1 |
556 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
396 |
31.9 |
-0.3 |
0.259 |
0 |
0 |
0 |
0.002 |
19 |
24 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
3 |
1 |
825 |
25.5 |
-0.2 |
0.868 |
0 |
0 |
0 |
0.001 |
20 |
25 |
|
[XEB]B:800 |
5 |
1 |
557 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
2 |
1 |
394 |
14.5 |
-0.7 |
0.344 |
0 |
0 |
0 |
0.005 |
21 |
26 |
|
B |
1 |
1 |
20187 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
20187 |
12.8 |
0.7 |
0.872 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
A |
2 |
2 |
19940 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
20187 |
12.1 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[XEB]B:800 |
2 |
1 |
557 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
19940 |
11.3 |
-0.4 |
0.529 |
0 |
0 |
0 |
0.003 |
24 |
29 |
|
[XEB]A:800 |
1 |
1 |
556 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20187 |
4.2 |
-0.5 |
0.415 |
0 |
0 |
0 |
0.004 |
|