## |
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 |
263 |
69 |
20102 |
◊ |
A |
x,y,z |
1_555 |
262 |
68 |
19792 |
2588.0 |
-37.4 |
0.009 |
36 |
10 |
0 |
0.516 |
2 |
2 |
|
A |
67 |
18 |
19792 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
71 |
20 |
20102 |
668.3 |
-1.8 |
0.661 |
9 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
42 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
80 |
23 |
20102 |
534.2 |
-18.7 |
0.351 |
0 |
0 |
0 |
0.353 |
4 |
|
[HEM]A:750 |
42 |
1 |
812 |
f |
A |
x,y,z |
1_555 |
77 |
23 |
19792 |
531.1 |
-18.5 |
0.301 |
1 |
0 |
0 |
0.353 |
Average: |
532.7 |
-18.6 |
0.326 |
1 |
0 |
0 |
0.353 |
4 |
5 |
|
B |
53 |
17 |
20102 |
x |
B |
x-1,y,z |
1_455 |
55 |
15 |
20102 |
477.8 |
0.1 |
0.757 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
39 |
12 |
20102 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
31 |
9 |
19792 |
295.4 |
-1.3 |
0.576 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
[JM2]A:800 |
14 |
1 |
416 |
f |
A |
x,y,z |
1_555 |
36 |
17 |
19792 |
226.1 |
1.5 |
0.520 |
7 |
0 |
0 |
0.031 |
8 |
|
[JM2]B:800 |
14 |
1 |
417 |
f |
B |
x,y,z |
1_555 |
40 |
18 |
20102 |
224.6 |
1.5 |
0.533 |
7 |
0 |
0 |
0.031 |
Average: |
225.4 |
1.5 |
0.527 |
7 |
0 |
0 |
0.031 |
7 |
9 |
|
[H4B]B:760 |
17 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
20102 |
205.7 |
1.8 |
0.443 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
19792 |
204.5 |
2.0 |
0.458 |
2 |
0 |
0 |
0.000 |
Average: |
205.1 |
1.9 |
0.451 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
18 |
10 |
19792 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
6 |
20102 |
155.6 |
0.6 |
0.737 |
2 |
2 |
0 |
0.000 |
9 |
12 |
|
[H4B]B:760 |
13 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
19792 |
119.8 |
-0.1 |
0.273 |
1 |
0 |
0 |
0.009 |
13 |
|
[H4B]A:760 |
13 |
1 |
400 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20102 |
119.4 |
-0.0 |
0.279 |
1 |
0 |
0 |
0.009 |
Average: |
119.6 |
-0.0 |
0.276 |
1 |
0 |
0 |
0.009 |
10 |
14 |
|
[JM2]B:800 |
10 |
1 |
417 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
30 |
1 |
821 |
119.0 |
-0.2 |
0.784 |
1 |
0 |
0 |
0.016 |
15 |
|
[JM2]A:800 |
10 |
1 |
416 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
32 |
1 |
812 |
115.2 |
-0.7 |
0.723 |
1 |
0 |
0 |
0.016 |
Average: |
117.1 |
-0.4 |
0.753 |
1 |
0 |
0 |
0.016 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20102 |
116.1 |
-1.4 |
0.491 |
1 |
0 |
0 |
0.018 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
19792 |
111.2 |
-1.4 |
0.465 |
1 |
0 |
0 |
0.018 |
13 |
18 |
|
[H4B]B:760 |
4 |
1 |
397 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
821 |
42.8 |
-1.1 |
0.466 |
2 |
0 |
0 |
0.037 |
19 |
|
[H4B]A:760 |
4 |
1 |
400 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
812 |
42.6 |
-1.1 |
0.485 |
2 |
0 |
0 |
0.037 |
Average: |
42.7 |
-1.1 |
0.475 |
2 |
0 |
0 |
0.037 |
14 |
20 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
812 |
39.0 |
-1.2 |
0.747 |
0 |
0 |
0 |
0.012 |
15 |
21 |
|
[ACT]B:860 |
2 |
1 |
183 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
821 |
35.8 |
-1.0 |
0.691 |
0 |
0 |
0 |
0.009 |
16 |
22 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20102 |
35.3 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.276 |
23 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
19792 |
34.9 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.276 |
Average: |
35.1 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.276 |
17 |
24 |
|
B |
2 |
1 |
20102 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
3 |
20102 |
25.0 |
1.2 |
0.898 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
A |
1 |
1 |
19792 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
20102 |
0.3 |
-0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
|