## |
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 |
20070 |
◊ |
A |
x,y,z |
1_555 |
261 |
68 |
20061 |
2608.4 |
-38.8 |
0.006 |
36 |
9 |
0 |
0.467 |
2 |
2 |
|
A |
66 |
19 |
20061 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
71 |
18 |
20070 |
655.7 |
-0.3 |
0.748 |
17 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
42 |
1 |
820 |
f |
B |
x,y,z |
1_555 |
78 |
25 |
20070 |
534.0 |
-18.9 |
0.281 |
1 |
0 |
0 |
0.318 |
4 |
|
[HEM]A:750 |
42 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
77 |
23 |
20061 |
533.2 |
-18.4 |
0.279 |
1 |
0 |
0 |
0.318 |
Average: |
533.6 |
-18.7 |
0.280 |
1 |
0 |
0 |
0.318 |
4 |
5 |
|
B |
52 |
15 |
20070 |
x |
B |
x-1,y,z |
1_455 |
52 |
15 |
20070 |
465.9 |
-0.9 |
0.671 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
[W64]B:800 |
23 |
1 |
551 |
f |
B |
x,y,z |
1_555 |
51 |
21 |
20070 |
312.9 |
-2.1 |
0.817 |
4 |
0 |
0 |
0.062 |
7 |
|
[W64]A:800 |
23 |
1 |
555 |
f |
A |
x,y,z |
1_555 |
49 |
21 |
20061 |
312.0 |
-1.7 |
0.824 |
4 |
0 |
0 |
0.062 |
Average: |
312.4 |
-1.9 |
0.821 |
4 |
0 |
0 |
0.062 |
6 |
8 |
|
B |
37 |
10 |
20070 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
36 |
10 |
20061 |
311.2 |
-1.5 |
0.548 |
2 |
2 |
0 |
0.000 |
7 |
9 |
|
A |
33 |
13 |
20061 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
9 |
20070 |
216.4 |
1.4 |
0.792 |
1 |
2 |
0 |
0.000 |
8 |
10 |
|
[H4B]B:760 |
17 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
20070 |
203.6 |
1.9 |
0.446 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
20061 |
203.5 |
2.0 |
0.479 |
2 |
0 |
0 |
0.000 |
Average: |
203.5 |
1.9 |
0.463 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[W64]A:800 |
14 |
1 |
555 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
30 |
1 |
817 |
136.0 |
-4.6 |
0.886 |
0 |
0 |
0 |
0.075 |
13 |
|
[W64]B:800 |
14 |
1 |
551 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
29 |
1 |
820 |
134.4 |
-4.5 |
0.906 |
0 |
0 |
0 |
0.075 |
Average: |
135.2 |
-4.5 |
0.896 |
0 |
0 |
0 |
0.075 |
10 |
14 |
|
[H4B]B:760 |
13 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
20061 |
118.6 |
-0.1 |
0.256 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]A:760 |
13 |
1 |
400 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
20070 |
117.8 |
-0.1 |
0.280 |
1 |
0 |
0 |
0.009 |
Average: |
118.2 |
-0.1 |
0.268 |
1 |
0 |
0 |
0.009 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20070 |
115.0 |
-1.4 |
0.498 |
1 |
0 |
0 |
0.015 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
20061 |
111.8 |
-1.2 |
0.497 |
1 |
0 |
0 |
0.014 |
13 |
18 |
|
[H4B]A:760 |
4 |
1 |
400 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
817 |
42.7 |
-1.1 |
0.473 |
2 |
0 |
0 |
0.034 |
19 |
|
[H4B]B:760 |
4 |
1 |
400 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
820 |
41.4 |
-1.2 |
0.461 |
2 |
0 |
0 |
0.034 |
Average: |
42.0 |
-1.1 |
0.467 |
2 |
0 |
0 |
0.034 |
14 |
20 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
817 |
35.7 |
-1.0 |
0.751 |
0 |
0 |
0 |
0.009 |
15 |
21 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
820 |
34.9 |
-1.1 |
0.753 |
0 |
0 |
0 |
0.009 |
16 |
22 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20061 |
34.2 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.252 |
23 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20070 |
34.1 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.252 |
Average: |
34.1 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.252 |
17 |
24 |
|
B |
1 |
1 |
20070 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
20070 |
18.6 |
0.9 |
0.933 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
A |
5 |
2 |
20061 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
20070 |
14.3 |
0.3 |
0.756 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[W64]B:800 |
3 |
1 |
551 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
1 |
1 |
400 |
13.0 |
-0.4 |
0.300 |
0 |
0 |
0 |
0.006 |
27 |
|
[W64]A:800 |
3 |
1 |
555 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
400 |
10.3 |
-0.3 |
0.301 |
0 |
0 |
0 |
0.006 |
Average: |
11.6 |
-0.4 |
0.300 |
0 |
0 |
0 |
0.006 |
20 |
28 |
|
A |
2 |
1 |
20061 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20061 |
11.3 |
-0.4 |
0.264 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
A |
2 |
1 |
20061 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
20061 |
1.9 |
0.1 |
0.746 |
0 |
0 |
0 |
0.000 |
|