| ## |
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 |
261 |
68 |
19915 |
◊ |
A |
x,y,z |
1_555 |
261 |
68 |
19868 |
2586.5 |
-38.7 |
0.005 |
37 |
9 |
0 |
0.470 |
| 2 |
2 |
|
A |
68 |
19 |
19868 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
68 |
18 |
19915 |
656.4 |
-0.8 |
0.722 |
15 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]B:750 |
43 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
77 |
25 |
19915 |
523.6 |
-18.3 |
0.307 |
1 |
0 |
0 |
0.309 |
4 |
|
[HEM]A:750 |
42 |
1 |
820 |
f |
A |
x,y,z |
1_555 |
75 |
24 |
19868 |
519.3 |
-18.0 |
0.289 |
1 |
0 |
0 |
0.309 |
| Average: |
521.5 |
-18.1 |
0.298 |
1 |
0 |
0 |
0.309 |
| 4 |
5 |
|
B |
49 |
15 |
19915 |
x |
B |
x-1,y,z |
1_455 |
51 |
15 |
19915 |
457.2 |
0.5 |
0.675 |
5 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
38 |
11 |
19915 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
37 |
11 |
19868 |
316.7 |
-1.6 |
0.559 |
1 |
3 |
0 |
0.000 |
| 6 |
7 |
|
[EXI]A:800 |
22 |
1 |
552 |
f |
A |
x,y,z |
1_555 |
43 |
21 |
19868 |
297.6 |
-2.1 |
0.531 |
3 |
0 |
0 |
0.061 |
8 |
|
[EXI]B:800 |
22 |
1 |
553 |
f |
B |
x,y,z |
1_555 |
44 |
20 |
19915 |
294.0 |
-2.6 |
0.537 |
3 |
0 |
0 |
0.061 |
| Average: |
295.8 |
-2.3 |
0.534 |
3 |
0 |
0 |
0.061 |
| 7 |
9 |
|
A |
31 |
13 |
19868 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
9 |
19915 |
209.2 |
1.2 |
0.781 |
1 |
2 |
0 |
0.000 |
| 8 |
10 |
|
[H4B]B:760 |
17 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
19915 |
197.0 |
2.2 |
0.486 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
19868 |
193.1 |
2.1 |
0.463 |
2 |
0 |
0 |
0.000 |
| Average: |
195.0 |
2.1 |
0.475 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[EXI]B:800 |
19 |
1 |
553 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
32 |
1 |
822 |
156.5 |
-5.2 |
0.741 |
0 |
0 |
0 |
0.089 |
13 |
|
[EXI]A:800 |
18 |
1 |
552 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
31 |
1 |
820 |
156.4 |
-5.5 |
0.695 |
0 |
0 |
0 |
0.089 |
| Average: |
156.5 |
-5.4 |
0.718 |
0 |
0 |
0 |
0.089 |
| 10 |
14 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
19915 |
117.0 |
-1.5 |
0.498 |
1 |
0 |
0 |
0.016 |
| 11 |
15 |
|
[H4B]B:760 |
13 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
19868 |
116.7 |
-0.1 |
0.264 |
1 |
0 |
0 |
0.009 |
16 |
|
[H4B]A:760 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
19915 |
115.9 |
-0.1 |
0.263 |
1 |
0 |
0 |
0.009 |
| Average: |
116.3 |
-0.1 |
0.263 |
1 |
0 |
0 |
0.009 |
| 12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
19868 |
111.1 |
-1.3 |
0.489 |
1 |
0 |
0 |
0.015 |
| 13 |
18 |
|
[H4B]A:760 |
4 |
1 |
397 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
820 |
42.3 |
-1.1 |
0.459 |
2 |
0 |
0 |
0.034 |
19 |
|
[H4B]B:760 |
5 |
1 |
397 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
822 |
42.0 |
-1.2 |
0.432 |
2 |
0 |
0 |
0.034 |
| Average: |
42.1 |
-1.2 |
0.445 |
2 |
0 |
0 |
0.034 |
| 14 |
20 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
820 |
37.1 |
-1.2 |
0.752 |
0 |
0 |
0 |
0.010 |
| 15 |
21 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19915 |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.252 |
22 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19868 |
34.1 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.252 |
| Average: |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.252 |
| 16 |
23 |
|
[ACT]B:860 |
2 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
822 |
33.8 |
-1.1 |
0.694 |
0 |
0 |
0 |
0.009 |
| 17 |
24 |
|
[EXI]A:800 |
2 |
1 |
552 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
2 |
1 |
397 |
20.1 |
0.1 |
0.363 |
0 |
0 |
0 |
0.002 |
25 |
|
[EXI]B:800 |
3 |
1 |
553 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
1 |
1 |
397 |
15.4 |
-0.3 |
0.292 |
0 |
0 |
0 |
0.002 |
| Average: |
17.8 |
-0.1 |
0.327 |
0 |
0 |
0 |
0.002 |
| 18 |
26 |
|
B |
2 |
2 |
19915 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
2 |
19915 |
14.7 |
0.7 |
0.886 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
A |
2 |
1 |
19868 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
19868 |
11.5 |
-0.4 |
0.262 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[EXI]B:800 |
1 |
1 |
553 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19868 |
8.0 |
0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
29 |
|
[EXI]A:800 |
1 |
1 |
552 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19915 |
3.1 |
0.1 |
0.660 |
0 |
0 |
0 |
0.000 |
| Average: |
5.5 |
0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
A |
2 |
1 |
19868 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
19868 |
6.9 |
-0.3 |
0.212 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
A |
1 |
1 |
19868 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
19915 |
2.2 |
-0.0 |
0.562 |
0 |
0 |
0 |
0.000 |
|