## |
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 |
265 |
69 |
20048 |
◊ |
A |
x,y,z |
1_555 |
256 |
67 |
19894 |
2538.0 |
-37.8 |
0.004 |
39 |
10 |
0 |
0.490 |
2 |
2 |
|
A |
68 |
20 |
19894 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
68 |
20 |
20048 |
658.4 |
-1.4 |
0.664 |
16 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:750 |
43 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
82 |
26 |
19894 |
525.7 |
-18.4 |
0.337 |
1 |
0 |
0 |
0.326 |
4 |
|
[HEM]B:750 |
43 |
1 |
812 |
f |
B |
x,y,z |
1_555 |
82 |
26 |
20048 |
523.1 |
-18.4 |
0.318 |
1 |
0 |
0 |
0.326 |
Average: |
524.4 |
-18.4 |
0.327 |
1 |
0 |
0 |
0.326 |
4 |
5 |
|
B |
47 |
15 |
20048 |
x |
B |
x-1,y,z |
1_455 |
47 |
14 |
20048 |
407.7 |
-0.0 |
0.630 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
[DP9]A:799 |
23 |
1 |
565 |
f |
A |
x,y,z |
1_555 |
50 |
20 |
19894 |
298.8 |
1.6 |
0.596 |
6 |
0 |
0 |
0.025 |
7 |
|
[DP9]B:800 |
23 |
1 |
564 |
f |
B |
x,y,z |
1_555 |
48 |
20 |
20048 |
297.6 |
1.3 |
0.582 |
7 |
0 |
0 |
0.025 |
Average: |
298.2 |
1.5 |
0.589 |
7 |
0 |
0 |
0.025 |
6 |
8 |
|
B |
37 |
10 |
20048 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
27 |
8 |
19894 |
262.9 |
-1.5 |
0.526 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:761 |
17 |
1 |
402 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
20048 |
176.5 |
2.1 |
0.456 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
19894 |
176.2 |
2.2 |
0.484 |
2 |
0 |
0 |
0.000 |
Average: |
176.4 |
2.1 |
0.470 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[DP9]B:800 |
17 |
1 |
564 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
32 |
1 |
812 |
153.0 |
-3.5 |
0.708 |
1 |
0 |
0 |
0.069 |
12 |
|
[DP9]A:799 |
17 |
1 |
565 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
32 |
1 |
818 |
148.4 |
-3.6 |
0.671 |
1 |
0 |
0 |
0.069 |
Average: |
150.7 |
-3.6 |
0.689 |
1 |
0 |
0 |
0.069 |
9 |
13 |
|
A |
19 |
11 |
19894 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
6 |
20048 |
140.3 |
1.4 |
0.801 |
2 |
2 |
0 |
0.000 |
10 |
14 |
|
[H4B]B:761 |
13 |
1 |
402 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
19894 |
114.2 |
-0.1 |
0.261 |
1 |
0 |
0 |
0.010 |
15 |
|
[H4B]A:760 |
13 |
1 |
400 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
20048 |
111.8 |
-0.1 |
0.257 |
1 |
0 |
0 |
0.010 |
Average: |
113.0 |
-0.1 |
0.259 |
1 |
0 |
0 |
0.010 |
11 |
16 |
|
[GOL]A:880 |
5 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
19894 |
70.8 |
-0.4 |
0.505 |
1 |
0 |
0 |
0.007 |
12 |
17 |
|
[GOL]B:881 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
20048 |
67.6 |
-0.4 |
0.521 |
1 |
0 |
0 |
0.007 |
13 |
18 |
|
[GOL]A:880 |
5 |
1 |
215 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
20048 |
50.3 |
-0.8 |
0.444 |
0 |
0 |
0 |
0.007 |
14 |
19 |
|
[GOL]B:881 |
4 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
19894 |
50.1 |
-0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[GOL]B:881 |
4 |
1 |
216 |
f |
[DP9]B:800 |
x,y,z |
1_555 |
6 |
1 |
564 |
44.9 |
0.4 |
0.560 |
3 |
0 |
0 |
0.008 |
16 |
21 |
|
[GOL]A:880 |
4 |
1 |
215 |
f |
[DP9]A:799 |
x,y,z |
1_555 |
6 |
1 |
565 |
42.7 |
0.3 |
0.550 |
3 |
0 |
0 |
0.009 |
17 |
22 |
|
[GOL]A:880 |
5 |
1 |
215 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
7 |
1 |
400 |
42.4 |
0.1 |
0.310 |
3 |
0 |
0 |
0.011 |
18 |
23 |
|
[GOL]B:881 |
4 |
1 |
216 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
6 |
1 |
402 |
41.5 |
-0.1 |
0.283 |
4 |
0 |
0 |
0.016 |
19 |
24 |
|
[H4B]A:760 |
4 |
1 |
400 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
818 |
40.5 |
-1.3 |
0.455 |
1 |
0 |
0 |
0.033 |
25 |
|
[H4B]B:761 |
4 |
1 |
402 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
812 |
39.4 |
-1.2 |
0.457 |
2 |
0 |
0 |
0.033 |
Average: |
39.9 |
-1.2 |
0.456 |
2 |
0 |
0 |
0.033 |
20 |
26 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19894 |
34.5 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.260 |
27 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20048 |
34.5 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.260 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.260 |
21 |
28 |
|
B |
2 |
1 |
20048 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
3 |
20048 |
21.9 |
1.2 |
0.892 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[DP9]A:799 |
3 |
1 |
565 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
400 |
11.0 |
-0.2 |
0.241 |
0 |
0 |
0 |
0.003 |
30 |
|
[DP9]B:800 |
3 |
1 |
564 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
1 |
1 |
402 |
10.1 |
-0.2 |
0.243 |
0 |
0 |
0 |
0.003 |
Average: |
10.5 |
-0.2 |
0.242 |
0 |
0 |
0 |
0.003 |
23 |
31 |
|
[DP9]A:799 |
1 |
1 |
565 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20048 |
5.1 |
-0.0 |
0.446 |
0 |
0 |
0 |
0.000 |
32 |
|
[DP9]B:800 |
1 |
1 |
564 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19894 |
2.9 |
-0.0 |
0.433 |
0 |
0 |
0 |
0.000 |
Average: |
4.0 |
-0.0 |
0.440 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[GOL]A:880 |
1 |
1 |
215 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
1 |
1 |
818 |
1.4 |
-0.1 |
0.665 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
A |
1 |
1 |
19894 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
19894 |
1.3 |
-0.0 |
0.485 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[GOL]B:881 |
1 |
1 |
216 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
1 |
1 |
812 |
0.4 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|