## |
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 |
269 |
70 |
20364 |
◊ |
A |
x,y,z |
1_555 |
266 |
69 |
20232 |
2621.1 |
-38.8 |
0.006 |
38 |
10 |
0 |
0.553 |
2 |
2 |
|
A |
72 |
20 |
20232 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
71 |
20 |
20364 |
672.6 |
-0.9 |
0.709 |
15 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
42 |
1 |
816 |
f |
B |
x,y,z |
1_555 |
79 |
24 |
20364 |
529.4 |
-18.4 |
0.318 |
0 |
0 |
0 |
0.360 |
4 |
|
[HEM]A:750 |
42 |
1 |
811 |
f |
A |
x,y,z |
1_555 |
79 |
24 |
20232 |
528.9 |
-18.4 |
0.317 |
1 |
0 |
0 |
0.360 |
Average: |
529.2 |
-18.4 |
0.318 |
1 |
0 |
0 |
0.360 |
4 |
5 |
|
B |
52 |
15 |
20364 |
x |
B |
x-1,y,z |
1_455 |
51 |
15 |
20364 |
457.0 |
-1.8 |
0.561 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
39 |
11 |
20364 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
36 |
10 |
20232 |
333.3 |
-1.5 |
0.564 |
3 |
2 |
0 |
0.000 |
6 |
7 |
|
[JM6]A:800 |
16 |
1 |
435 |
f |
A |
x,y,z |
1_555 |
35 |
16 |
20232 |
235.1 |
4.0 |
0.501 |
7 |
0 |
0 |
0.000 |
8 |
|
[JM6]B:800 |
16 |
1 |
436 |
f |
B |
x,y,z |
1_555 |
37 |
17 |
20364 |
234.4 |
3.7 |
0.470 |
7 |
0 |
0 |
0.000 |
Average: |
234.8 |
3.8 |
0.486 |
7 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
29 |
13 |
20232 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
26 |
8 |
20364 |
215.1 |
1.4 |
0.776 |
2 |
3 |
0 |
0.000 |
8 |
10 |
|
[H4B]B:760 |
17 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
20364 |
208.6 |
1.9 |
0.465 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
20232 |
204.5 |
1.9 |
0.437 |
2 |
0 |
0 |
0.000 |
Average: |
206.6 |
1.9 |
0.451 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[JM6]B:800 |
12 |
1 |
436 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
32 |
1 |
816 |
122.8 |
-0.2 |
0.512 |
1 |
0 |
0 |
0.013 |
13 |
|
[JM6]A:800 |
11 |
1 |
435 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
33 |
1 |
811 |
119.2 |
-0.3 |
0.547 |
1 |
0 |
0 |
0.013 |
Average: |
121.0 |
-0.2 |
0.529 |
1 |
0 |
0 |
0.013 |
10 |
14 |
|
[H4B]B:760 |
13 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
20232 |
120.8 |
-0.1 |
0.265 |
1 |
0 |
0 |
0.010 |
15 |
|
[H4B]A:760 |
13 |
1 |
400 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20364 |
120.4 |
-0.1 |
0.258 |
1 |
0 |
0 |
0.010 |
Average: |
120.6 |
-0.1 |
0.261 |
1 |
0 |
0 |
0.010 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20364 |
114.7 |
-1.5 |
0.472 |
1 |
0 |
0 |
0.019 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
20232 |
113.9 |
-1.5 |
0.467 |
1 |
0 |
0 |
0.019 |
13 |
18 |
|
[H4B]B:760 |
4 |
1 |
397 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
816 |
41.6 |
-1.1 |
0.479 |
2 |
0 |
0 |
0.037 |
19 |
|
[H4B]A:760 |
4 |
1 |
400 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
811 |
41.4 |
-0.9 |
0.488 |
2 |
0 |
0 |
0.037 |
Average: |
41.5 |
-1.0 |
0.484 |
2 |
0 |
0 |
0.037 |
14 |
20 |
|
[ACT]B:860 |
1 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
816 |
36.1 |
-1.2 |
0.489 |
0 |
0 |
0 |
0.011 |
15 |
21 |
|
[ACT]A:860 |
2 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
811 |
35.3 |
-1.1 |
0.695 |
0 |
0 |
0 |
0.011 |
16 |
22 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20232 |
34.6 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.282 |
23 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20364 |
34.4 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.282 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.282 |
17 |
24 |
|
B |
2 |
1 |
20364 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
3 |
20364 |
31.1 |
1.3 |
0.910 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
A |
1 |
1 |
20232 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
20364 |
8.4 |
-0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
A |
1 |
1 |
20232 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20232 |
2.6 |
0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
|