| ## |
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 |
292 |
72 |
20139 |
◊ |
A |
x,y,z |
1_555 |
286 |
75 |
19803 |
2774.2 |
-36.2 |
0.014 |
33 |
13 |
0 |
0.438 |
| 2 |
2 |
|
A |
85 |
25 |
19803 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
85 |
26 |
20139 |
704.4 |
-0.4 |
0.747 |
5 |
7 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]B:500 |
43 |
1 |
817 |
f |
B |
x,y,z |
1_555 |
88 |
25 |
20139 |
603.2 |
-20.9 |
0.294 |
2 |
0 |
0 |
0.367 |
4 |
|
[HEM]A:500 |
43 |
1 |
820 |
f |
A |
x,y,z |
1_555 |
90 |
25 |
19803 |
603.1 |
-21.0 |
0.326 |
3 |
0 |
0 |
0.367 |
| Average: |
603.1 |
-21.0 |
0.310 |
3 |
0 |
0 |
0.367 |
| 4 |
5 |
|
A |
50 |
18 |
19803 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
48 |
14 |
19803 |
392.8 |
-3.1 |
0.448 |
1 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
30 |
10 |
20139 |
x |
B |
x-1,y,z |
1_455 |
21 |
6 |
20139 |
220.9 |
-2.5 |
0.296 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[GOL]A:1890 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
19803 |
118.8 |
-0.1 |
0.638 |
1 |
0 |
0 |
0.005 |
| 7 |
8 |
|
[ACT]A:1860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
19803 |
116.0 |
-1.5 |
0.470 |
2 |
0 |
0 |
0.020 |
| 8 |
9 |
|
[ACT]B:2860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20139 |
112.4 |
-1.4 |
0.490 |
2 |
0 |
0 |
0.019 |
| 9 |
10 |
|
[GOL]A:1880 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
19803 |
112.0 |
0.1 |
0.644 |
3 |
0 |
0 |
0.010 |
| 10 |
11 |
|
[GOL]B:2880 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
20139 |
111.0 |
-0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[CAC]A:1950 |
3 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
19803 |
89.3 |
-0.3 |
0.172 |
0 |
0 |
0 |
0.003 |
| 12 |
13 |
|
[GOL]A:2890 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
19803 |
89.1 |
-0.4 |
0.557 |
1 |
0 |
0 |
0.007 |
| 13 |
14 |
|
[CAC]B:2950 |
3 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
20139 |
85.6 |
-0.4 |
0.120 |
0 |
0 |
0 |
0.004 |
| 14 |
15 |
|
[GOL]A:2890 |
5 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
20139 |
84.5 |
-0.2 |
0.543 |
2 |
0 |
0 |
0.009 |
| 15 |
16 |
|
[CAC]B:2950 |
3 |
1 |
198 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
3 |
20139 |
78.3 |
1.2 |
0.366 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
A |
13 |
6 |
19803 |
◊ |
[CAC]A:1950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
198 |
67.4 |
1.7 |
0.422 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
B |
6 |
2 |
20139 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
19803 |
63.8 |
-0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[NO]A:1910 |
2 |
1 |
127 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
19803 |
61.0 |
-2.2 |
0.537 |
0 |
0 |
0 |
0.018 |
| 19 |
20 |
|
[NO]B:2910 |
2 |
1 |
127 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
20139 |
59.3 |
-2.2 |
0.492 |
0 |
0 |
0 |
0.019 |
| 20 |
21 |
|
[GOL]A:1880 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
20139 |
57.5 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
A |
7 |
4 |
19803 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
20139 |
52.7 |
-0.6 |
0.444 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[GOL]A:1890 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
20139 |
48.6 |
-0.8 |
0.377 |
0 |
0 |
0 |
0.007 |
| 23 |
24 |
|
[NO]A:1910 |
2 |
1 |
127 |
cf |
[HEM]A:500 |
x,y,z |
1_555 |
16 |
1 |
820 |
42.8 |
-1.3 |
0.866 |
0 |
0 |
0 |
0.011 |
| 24 |
25 |
|
[NO]B:2910 |
2 |
1 |
127 |
cf |
[HEM]B:500 |
x,y,z |
1_555 |
17 |
1 |
817 |
42.4 |
-1.3 |
0.866 |
0 |
0 |
0 |
0.011 |
| 25 |
26 |
|
[GOL]B:2880 |
4 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
19803 |
39.2 |
-0.7 |
0.388 |
0 |
0 |
0 |
0.006 |
| 26 |
27 |
|
[GOL]B:2880 |
5 |
1 |
218 |
f |
[GOL]A:2890 |
x,y,z |
1_555 |
5 |
1 |
221 |
37.7 |
0.2 |
0.576 |
1 |
0 |
0 |
0.002 |
| 27 |
28 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20139 |
34.5 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.252 |
29 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19803 |
34.2 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.252 |
| Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.252 |
| 28 |
30 |
|
[HEM]A:500 |
5 |
1 |
820 |
f |
[ACT]A:1860 |
x,y,z |
1_555 |
2 |
1 |
183 |
34.4 |
-1.1 |
0.696 |
0 |
0 |
0 |
0.009 |
| 29 |
31 |
|
[HEM]B:500 |
5 |
1 |
817 |
f |
[ACT]B:2860 |
x,y,z |
1_555 |
2 |
1 |
183 |
33.7 |
-0.7 |
0.694 |
0 |
0 |
0 |
0.006 |
| 30 |
32 |
|
[GOL]A:1890 |
2 |
1 |
219 |
f |
[GOL]A:1880 |
x,y,z |
1_555 |
2 |
1 |
219 |
28.2 |
0.6 |
0.750 |
2 |
0 |
0 |
0.003 |
| 31 |
33 |
|
B |
8 |
3 |
20139 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
19803 |
27.5 |
-0.6 |
0.265 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[GOL]B:2880 |
2 |
1 |
218 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
3 |
1 |
817 |
27.3 |
-1.5 |
0.475 |
1 |
0 |
0 |
0.016 |
| 33 |
35 |
|
A |
3 |
1 |
19803 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
3 |
19803 |
24.6 |
0.2 |
0.716 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[GOL]A:1890 |
2 |
1 |
219 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
4 |
1 |
820 |
22.7 |
-1.1 |
0.703 |
1 |
0 |
0 |
0.013 |
|