| ## |
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 |
20175 |
◊ |
A |
x,y,z |
1_555 |
266 |
69 |
19999 |
2654.6 |
-40.1 |
0.006 |
36 |
8 |
0 |
0.492 |
| 2 |
2 |
|
A |
63 |
19 |
19999 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
68 |
19 |
20175 |
644.3 |
-1.9 |
0.656 |
15 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]B:750 |
43 |
1 |
812 |
f |
B |
x,y,z |
1_555 |
78 |
23 |
20175 |
512.8 |
-17.2 |
0.310 |
0 |
0 |
0 |
0.292 |
4 |
|
[HEM]A:750 |
43 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
79 |
23 |
19999 |
510.7 |
-16.8 |
0.342 |
0 |
0 |
0 |
0.292 |
| Average: |
511.8 |
-17.0 |
0.326 |
0 |
0 |
0 |
0.292 |
| 4 |
5 |
|
B |
47 |
15 |
20175 |
x |
B |
x-1,y,z |
1_455 |
49 |
15 |
20175 |
438.5 |
-1.1 |
0.638 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[S5D]B:800 |
26 |
1 |
642 |
f |
B |
x,y,z |
1_555 |
53 |
21 |
20175 |
363.1 |
-0.5 |
0.308 |
3 |
0 |
0 |
0.023 |
7 |
|
[S5D]A:800 |
27 |
1 |
642 |
f |
A |
x,y,z |
1_555 |
53 |
23 |
19999 |
359.8 |
0.5 |
0.389 |
3 |
0 |
0 |
0.023 |
| Average: |
361.4 |
-0.0 |
0.349 |
3 |
0 |
0 |
0.023 |
| 6 |
8 |
|
B |
36 |
11 |
20175 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
4_645 |
34 |
9 |
19999 |
299.5 |
-2.8 |
0.436 |
4 |
2 |
0 |
0.000 |
| 7 |
9 |
|
[H4B]B:760 |
17 |
1 |
402 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
20175 |
199.6 |
2.2 |
0.481 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
19999 |
194.4 |
1.9 |
0.445 |
2 |
0 |
0 |
0.000 |
| Average: |
197.0 |
2.0 |
0.463 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
25 |
12 |
19999 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
25 |
8 |
20175 |
193.1 |
-0.0 |
0.688 |
0 |
2 |
0 |
0.000 |
| 9 |
12 |
|
[S5D]B:800 |
21 |
1 |
642 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
29 |
1 |
812 |
170.0 |
-4.9 |
0.446 |
2 |
0 |
0 |
0.103 |
13 |
|
[S5D]A:800 |
21 |
1 |
642 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
30 |
1 |
814 |
169.4 |
-5.3 |
0.411 |
2 |
0 |
0 |
0.103 |
| Average: |
169.7 |
-5.1 |
0.428 |
2 |
0 |
0 |
0.103 |
| 10 |
14 |
|
[H4B]B:760 |
13 |
1 |
402 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
19999 |
121.0 |
-0.2 |
0.271 |
1 |
0 |
0 |
0.010 |
15 |
|
[H4B]A:760 |
13 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20175 |
118.5 |
-0.1 |
0.271 |
1 |
0 |
0 |
0.010 |
| Average: |
119.8 |
-0.1 |
0.271 |
1 |
0 |
0 |
0.010 |
| 11 |
16 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20175 |
115.0 |
-1.3 |
0.506 |
1 |
0 |
0 |
0.015 |
| 12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19999 |
109.1 |
-1.2 |
0.502 |
1 |
0 |
0 |
0.014 |
| 13 |
18 |
|
[H4B]B:760 |
4 |
1 |
402 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
812 |
41.1 |
-1.2 |
0.452 |
2 |
0 |
0 |
0.036 |
19 |
|
[H4B]A:760 |
4 |
1 |
398 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
814 |
40.7 |
-1.2 |
0.456 |
2 |
0 |
0 |
0.036 |
| Average: |
40.9 |
-1.2 |
0.454 |
2 |
0 |
0 |
0.036 |
| 14 |
20 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20175 |
34.7 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.258 |
21 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19999 |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.258 |
| Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.258 |
| 15 |
22 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
814 |
34.1 |
-1.0 |
0.753 |
0 |
0 |
0 |
0.009 |
| 16 |
23 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
812 |
31.2 |
-0.8 |
0.811 |
0 |
0 |
0 |
0.007 |
| 17 |
24 |
|
[S5D]A:800 |
1 |
1 |
642 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20175 |
30.2 |
-1.0 |
0.140 |
0 |
0 |
0 |
0.016 |
25 |
|
[S5D]B:800 |
1 |
1 |
642 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
19999 |
28.7 |
-0.9 |
0.158 |
0 |
0 |
0 |
0.016 |
| Average: |
29.5 |
-0.9 |
0.149 |
0 |
0 |
0 |
0.016 |
| 18 |
26 |
|
B |
2 |
1 |
20175 |
x |
B |
x-1/2,-y+1/2,-z+1 |
3_456 |
3 |
3 |
20175 |
16.3 |
0.8 |
0.876 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[S5D]A:800 |
1 |
1 |
642 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
2 |
1 |
398 |
14.7 |
-0.1 |
0.355 |
0 |
0 |
0 |
0.003 |
28 |
|
[S5D]B:800 |
2 |
1 |
642 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
1 |
1 |
402 |
12.4 |
-0.2 |
0.227 |
0 |
0 |
0 |
0.003 |
| Average: |
13.5 |
-0.2 |
0.291 |
0 |
0 |
0 |
0.003 |
| 20 |
29 |
|
A |
2 |
1 |
19999 |
x |
A |
x-1/2,-y+1/2,-z |
3_455 |
1 |
1 |
19999 |
8.4 |
-0.3 |
0.319 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
A |
1 |
1 |
19999 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
20175 |
2.0 |
-0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
|