| ## |
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 |
264 |
69 |
20269 |
◊ |
A |
x,y,z |
1_555 |
268 |
67 |
20195 |
2607.4 |
-37.1 |
0.009 |
38 |
9 |
0 |
0.463 |
| 2 |
2 |
|
A |
73 |
20 |
20195 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
71 |
19 |
20269 |
663.4 |
-1.0 |
0.714 |
9 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:750 |
43 |
1 |
840 |
f |
A |
x,y,z |
1_555 |
77 |
22 |
20195 |
522.2 |
-18.4 |
0.306 |
2 |
0 |
0 |
0.321 |
4 |
|
[HEM]B:750 |
43 |
1 |
829 |
f |
B |
x,y,z |
1_555 |
77 |
24 |
20269 |
518.2 |
-18.1 |
0.309 |
2 |
0 |
0 |
0.321 |
| Average: |
520.2 |
-18.2 |
0.308 |
2 |
0 |
0 |
0.321 |
| 4 |
5 |
|
B |
49 |
15 |
20269 |
x |
B |
x-1,y,z |
1_455 |
51 |
15 |
20269 |
475.8 |
1.6 |
0.782 |
5 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
39 |
10 |
20269 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
30 |
8 |
20195 |
309.3 |
-1.3 |
0.566 |
3 |
2 |
0 |
0.000 |
| 6 |
7 |
|
[M85]B:800 |
22 |
1 |
528 |
f |
B |
x,y,z |
1_555 |
39 |
18 |
20269 |
284.2 |
-1.7 |
0.397 |
3 |
0 |
0 |
0.052 |
8 |
|
[M85]A:800 |
22 |
1 |
527 |
f |
A |
x,y,z |
1_555 |
39 |
16 |
20195 |
280.9 |
-1.8 |
0.388 |
3 |
0 |
0 |
0.052 |
| Average: |
282.5 |
-1.8 |
0.392 |
3 |
0 |
0 |
0.052 |
| 7 |
9 |
|
[H4B]B:760 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
20269 |
195.0 |
2.1 |
0.474 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
396 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
20195 |
194.7 |
2.1 |
0.491 |
2 |
0 |
0 |
0.000 |
| Average: |
194.9 |
2.1 |
0.482 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
22 |
9 |
20195 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
7 |
20269 |
186.1 |
-1.0 |
0.546 |
0 |
1 |
0 |
0.000 |
| 9 |
12 |
|
[M85]A:800 |
22 |
1 |
527 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
34 |
1 |
840 |
163.5 |
-5.5 |
0.756 |
0 |
0 |
0 |
0.093 |
13 |
|
[M85]B:800 |
22 |
1 |
528 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
33 |
1 |
829 |
161.7 |
-5.6 |
0.739 |
0 |
0 |
0 |
0.093 |
| Average: |
162.6 |
-5.6 |
0.747 |
0 |
0 |
0 |
0.093 |
| 10 |
14 |
|
[H4B]B:760 |
13 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
20195 |
119.2 |
-0.0 |
0.285 |
1 |
0 |
0 |
0.008 |
15 |
|
[H4B]A:760 |
13 |
1 |
396 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20269 |
119.0 |
-0.1 |
0.271 |
1 |
0 |
0 |
0.008 |
| Average: |
119.1 |
-0.1 |
0.278 |
1 |
0 |
0 |
0.008 |
| 11 |
16 |
|
[ACT]B:860 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20269 |
116.4 |
-1.4 |
0.499 |
1 |
0 |
0 |
0.015 |
| 12 |
17 |
|
[ACT]A:860 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
20195 |
113.2 |
-1.4 |
0.486 |
1 |
0 |
0 |
0.015 |
| 13 |
18 |
|
[H4B]B:760 |
5 |
1 |
398 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
829 |
42.2 |
-1.3 |
0.405 |
2 |
0 |
0 |
0.032 |
19 |
|
[H4B]A:760 |
5 |
1 |
396 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
840 |
41.6 |
-1.2 |
0.417 |
1 |
0 |
0 |
0.032 |
| Average: |
41.9 |
-1.3 |
0.411 |
2 |
0 |
0 |
0.032 |
| 14 |
20 |
|
[ACT]A:860 |
3 |
1 |
184 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
840 |
36.3 |
-1.2 |
0.755 |
0 |
0 |
0 |
0.010 |
| 15 |
21 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20195 |
34.7 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.254 |
22 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20269 |
34.4 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.254 |
| Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.254 |
| 16 |
23 |
|
[ACT]B:860 |
3 |
1 |
184 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
829 |
33.1 |
-1.0 |
0.755 |
0 |
0 |
0 |
0.008 |
| 17 |
24 |
|
A |
4 |
2 |
20195 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
20269 |
23.3 |
0.3 |
0.731 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
B |
1 |
1 |
20269 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
20269 |
20.4 |
1.1 |
0.915 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[M85]A:800 |
2 |
1 |
527 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
2 |
1 |
396 |
16.4 |
-0.2 |
0.365 |
0 |
0 |
0 |
0.003 |
27 |
|
[M85]B:800 |
2 |
1 |
528 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
1 |
1 |
398 |
14.8 |
-0.2 |
0.290 |
0 |
0 |
0 |
0.003 |
| Average: |
15.6 |
-0.2 |
0.327 |
0 |
0 |
0 |
0.003 |
| 20 |
28 |
|
A |
1 |
1 |
20195 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20195 |
2.8 |
-0.1 |
0.411 |
0 |
0 |
0 |
0.000 |
|