## |
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 |
266 |
70 |
20240 |
◊ |
A |
x,y,z |
1_555 |
268 |
69 |
20022 |
2623.1 |
-37.4 |
0.008 |
43 |
10 |
0 |
0.518 |
2 |
2 |
|
A |
68 |
20 |
20022 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
71 |
19 |
20240 |
662.7 |
-1.8 |
0.642 |
11 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
43 |
1 |
813 |
f |
B |
x,y,z |
1_555 |
80 |
24 |
20240 |
525.4 |
-18.5 |
0.272 |
1 |
0 |
0 |
0.337 |
4 |
|
[HEM]A:750 |
43 |
1 |
811 |
f |
A |
x,y,z |
1_555 |
77 |
25 |
20022 |
523.8 |
-18.4 |
0.275 |
1 |
0 |
0 |
0.337 |
Average: |
524.6 |
-18.5 |
0.274 |
1 |
0 |
0 |
0.337 |
4 |
5 |
|
B |
48 |
14 |
20240 |
x |
B |
x-1,y,z |
1_455 |
52 |
14 |
20240 |
473.6 |
-1.1 |
0.618 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[DP1]B:791 |
22 |
1 |
551 |
f |
B |
x,y,z |
1_555 |
47 |
18 |
20240 |
305.5 |
2.4 |
0.447 |
10 |
0 |
0 |
0.030 |
7 |
|
[DP1]A:790 |
22 |
1 |
542 |
f |
A |
x,y,z |
1_555 |
45 |
18 |
20022 |
297.0 |
2.7 |
0.500 |
9 |
0 |
0 |
0.030 |
Average: |
301.3 |
2.5 |
0.474 |
10 |
0 |
0 |
0.030 |
6 |
8 |
|
B |
33 |
11 |
20240 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
11 |
20022 |
291.1 |
-2.7 |
0.404 |
1 |
3 |
0 |
0.000 |
7 |
9 |
|
A |
30 |
11 |
20022 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
26 |
8 |
20240 |
219.7 |
0.2 |
0.659 |
2 |
2 |
0 |
0.000 |
8 |
10 |
|
[H4B]B:761 |
17 |
1 |
402 |
f |
B |
x,y,z |
1_555 |
29 |
8 |
20240 |
207.7 |
2.2 |
0.468 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:760 |
17 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
28 |
8 |
20022 |
203.6 |
1.9 |
0.448 |
2 |
0 |
0 |
0.000 |
Average: |
205.7 |
2.0 |
0.458 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[DP1]A:790 |
16 |
1 |
542 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
30 |
1 |
811 |
141.5 |
-2.2 |
0.514 |
0 |
0 |
0 |
0.040 |
13 |
|
[DP1]B:791 |
16 |
1 |
551 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
29 |
1 |
813 |
141.2 |
-2.3 |
0.472 |
0 |
0 |
0 |
0.040 |
Average: |
141.3 |
-2.2 |
0.493 |
0 |
0 |
0 |
0.040 |
10 |
14 |
|
[H4B]A:760 |
13 |
1 |
400 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20240 |
118.8 |
-0.0 |
0.271 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]B:761 |
13 |
1 |
402 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20022 |
118.1 |
-0.1 |
0.256 |
1 |
0 |
0 |
0.009 |
Average: |
118.5 |
-0.0 |
0.264 |
1 |
0 |
0 |
0.009 |
11 |
16 |
|
[ACT]B:861 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20240 |
114.1 |
-1.4 |
0.489 |
1 |
0 |
0 |
0.016 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
20022 |
110.8 |
-1.3 |
0.499 |
1 |
0 |
0 |
0.015 |
13 |
18 |
|
[H4B]B:761 |
4 |
1 |
402 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
813 |
41.1 |
-1.3 |
0.445 |
2 |
0 |
0 |
0.034 |
19 |
|
[H4B]A:760 |
3 |
1 |
400 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
811 |
40.1 |
-1.3 |
0.444 |
1 |
0 |
0 |
0.034 |
Average: |
40.6 |
-1.3 |
0.445 |
2 |
0 |
0 |
0.034 |
14 |
20 |
|
[HEM]A:750 |
5 |
1 |
811 |
f |
[ACT]A:860 |
x,y,z |
1_555 |
1 |
1 |
182 |
37.0 |
-1.2 |
0.490 |
0 |
0 |
0 |
0.011 |
15 |
21 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20240 |
35.1 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.266 |
22 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20022 |
34.5 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.266 |
Average: |
34.8 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.266 |
16 |
23 |
|
[HEM]B:750 |
5 |
1 |
813 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
3 |
1 |
183 |
34.7 |
-0.9 |
0.806 |
0 |
0 |
0 |
0.008 |
17 |
24 |
|
B |
1 |
1 |
20240 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
20240 |
19.1 |
1.0 |
0.898 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[DP1]B:791 |
2 |
1 |
551 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
1 |
1 |
402 |
11.0 |
-0.1 |
0.235 |
0 |
0 |
0 |
0.001 |
26 |
|
[DP1]A:790 |
2 |
1 |
542 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
400 |
8.9 |
-0.1 |
0.241 |
0 |
0 |
0 |
0.001 |
Average: |
10.0 |
-0.1 |
0.238 |
0 |
0 |
0 |
0.001 |
19 |
27 |
|
A |
2 |
1 |
20022 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20022 |
8.0 |
-0.3 |
0.321 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
A |
1 |
1 |
20022 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
20240 |
2.1 |
-0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
|