| ## |
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 |
71 |
20138 |
◊ |
A |
x,y,z |
1_555 |
262 |
67 |
20054 |
2612.0 |
-37.4 |
0.012 |
39 |
7 |
0 |
0.489 |
| 2 |
2 |
|
A |
70 |
20 |
20054 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
71 |
19 |
20138 |
653.4 |
-1.6 |
0.689 |
10 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:750 |
42 |
1 |
833 |
f |
A |
x,y,z |
1_555 |
78 |
25 |
20054 |
531.9 |
-18.7 |
0.371 |
3 |
0 |
0 |
0.346 |
4 |
|
[HEM]B:750 |
42 |
1 |
834 |
f |
B |
x,y,z |
1_555 |
80 |
24 |
20138 |
531.2 |
-19.0 |
0.333 |
1 |
0 |
0 |
0.346 |
| Average: |
531.5 |
-18.8 |
0.352 |
2 |
0 |
0 |
0.346 |
| 4 |
5 |
|
B |
53 |
16 |
20138 |
x |
B |
x-1,y,z |
1_455 |
51 |
14 |
20138 |
466.8 |
-0.1 |
0.728 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
43 |
12 |
20138 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
4_645 |
34 |
9 |
20054 |
322.6 |
-1.9 |
0.541 |
1 |
1 |
0 |
0.000 |
| 6 |
7 |
|
[S20]A:800 |
27 |
1 |
630 |
f |
A |
x,y,z |
1_555 |
43 |
19 |
20054 |
313.1 |
0.6 |
0.506 |
4 |
0 |
0 |
0.017 |
8 |
|
[S20]B:800 |
27 |
1 |
625 |
f |
B |
x,y,z |
1_555 |
45 |
19 |
20138 |
312.5 |
0.5 |
0.485 |
3 |
0 |
0 |
0.017 |
| Average: |
312.8 |
0.6 |
0.496 |
4 |
0 |
0 |
0.017 |
| 7 |
9 |
|
A |
22 |
10 |
20054 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
26 |
9 |
20138 |
200.3 |
-0.6 |
0.619 |
1 |
1 |
0 |
0.000 |
| 8 |
10 |
|
[H4B]B:760 |
17 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
32 |
9 |
20138 |
197.2 |
1.9 |
0.461 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
31 |
9 |
20054 |
191.8 |
2.1 |
0.469 |
2 |
0 |
0 |
0.000 |
| Average: |
194.5 |
2.0 |
0.465 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[S20]B:800 |
19 |
1 |
625 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
34 |
1 |
834 |
166.8 |
-3.3 |
0.662 |
0 |
0 |
0 |
0.061 |
13 |
|
[S20]A:800 |
18 |
1 |
630 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
34 |
1 |
833 |
153.1 |
-3.6 |
0.603 |
0 |
0 |
0 |
0.061 |
| Average: |
159.9 |
-3.5 |
0.632 |
0 |
0 |
0 |
0.061 |
| 10 |
14 |
|
[ACT]B:860 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
20138 |
122.9 |
-0.9 |
0.563 |
1 |
0 |
0 |
0.012 |
| 11 |
15 |
|
[H4B]A:760 |
14 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20138 |
119.5 |
-0.1 |
0.237 |
1 |
0 |
0 |
0.011 |
16 |
|
[H4B]B:760 |
13 |
1 |
401 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
20054 |
115.0 |
-0.2 |
0.275 |
1 |
0 |
0 |
0.011 |
| Average: |
117.3 |
-0.2 |
0.256 |
1 |
0 |
0 |
0.011 |
| 12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
20054 |
113.3 |
-1.4 |
0.474 |
1 |
0 |
0 |
0.017 |
| 13 |
18 |
|
[H4B]B:760 |
5 |
1 |
401 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
834 |
47.5 |
-1.2 |
0.449 |
2 |
0 |
0 |
0.036 |
19 |
|
[H4B]A:760 |
5 |
1 |
397 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
6 |
1 |
833 |
46.0 |
-1.1 |
0.464 |
2 |
0 |
0 |
0.036 |
| Average: |
46.8 |
-1.2 |
0.456 |
2 |
0 |
0 |
0.036 |
| 14 |
20 |
|
[S20]B:800 |
3 |
1 |
625 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
20054 |
45.3 |
-1.1 |
0.279 |
0 |
0 |
0 |
0.019 |
21 |
|
[S20]A:800 |
5 |
1 |
630 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20138 |
40.8 |
-1.0 |
0.227 |
0 |
0 |
0 |
0.019 |
| Average: |
43.1 |
-1.1 |
0.253 |
0 |
0 |
0 |
0.019 |
| 15 |
22 |
|
[ACT]A:860 |
2 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
833 |
36.9 |
-1.2 |
0.691 |
0 |
0 |
0 |
0.010 |
| 16 |
23 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20054 |
34.6 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.262 |
24 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20138 |
34.6 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.262 |
| Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.262 |
| 17 |
25 |
|
A |
5 |
3 |
20054 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
20138 |
24.8 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[ACT]B:860 |
3 |
1 |
184 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
4 |
1 |
834 |
21.6 |
-0.0 |
0.920 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[S20]B:800 |
6 |
1 |
625 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
401 |
15.4 |
0.2 |
0.318 |
0 |
0 |
0 |
0.002 |
28 |
|
[S20]A:800 |
3 |
1 |
630 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
2 |
1 |
397 |
9.8 |
-0.4 |
0.278 |
0 |
0 |
0 |
0.002 |
| Average: |
12.6 |
-0.1 |
0.298 |
0 |
0 |
0 |
0.002 |
| 20 |
29 |
|
B |
2 |
1 |
20138 |
◊ |
A |
-x,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
20054 |
2.3 |
0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
B |
1 |
1 |
20138 |
x |
B |
x-1/2,-y+1/2,-z+1 |
3_456 |
1 |
1 |
20138 |
1.8 |
0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
|