## |
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 |
282 |
72 |
20112 |
◊ |
A |
x,y,z |
1_555 |
283 |
74 |
19632 |
2733.2 |
-36.2 |
0.019 |
33 |
12 |
0 |
0.425 |
2 |
2 |
|
A |
91 |
26 |
19632 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
90 |
28 |
20112 |
712.2 |
-2.8 |
0.662 |
6 |
4 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:500 |
42 |
1 |
825 |
f |
B |
x,y,z |
1_555 |
82 |
25 |
20112 |
499.1 |
-17.3 |
0.348 |
1 |
0 |
0 |
0.290 |
4 |
|
[HEM]A:500 |
42 |
1 |
812 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
19632 |
494.8 |
-17.3 |
0.326 |
2 |
0 |
0 |
0.290 |
Average: |
497.0 |
-17.3 |
0.337 |
2 |
0 |
0 |
0.290 |
4 |
5 |
|
A |
54 |
18 |
19632 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
48 |
14 |
19632 |
421.7 |
-6.2 |
0.236 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
B |
31 |
11 |
20112 |
x |
B |
x-1,y,z |
1_455 |
30 |
7 |
20112 |
307.5 |
-3.9 |
0.250 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
[W64]B:800 |
23 |
1 |
553 |
f |
B |
x,y,z |
1_555 |
45 |
19 |
20112 |
273.5 |
-3.4 |
0.609 |
3 |
0 |
0 |
0.076 |
8 |
|
[W64]A:800 |
23 |
1 |
554 |
f |
A |
x,y,z |
1_555 |
40 |
19 |
19632 |
267.4 |
-3.4 |
0.622 |
3 |
0 |
0 |
0.076 |
Average: |
270.5 |
-3.4 |
0.616 |
3 |
0 |
0 |
0.076 |
7 |
9 |
|
[H4B]B:600 |
17 |
1 |
395 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
20112 |
178.0 |
2.4 |
0.507 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:600 |
17 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
19632 |
173.4 |
2.4 |
0.539 |
2 |
0 |
0 |
0.000 |
Average: |
175.7 |
2.4 |
0.523 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[W64]B:800 |
20 |
1 |
553 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
33 |
1 |
825 |
144.2 |
-5.4 |
0.939 |
0 |
0 |
0 |
0.080 |
12 |
|
[W64]A:800 |
21 |
1 |
554 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
34 |
1 |
812 |
142.2 |
-4.6 |
0.953 |
0 |
0 |
0 |
0.080 |
Average: |
143.2 |
-5.0 |
0.946 |
0 |
0 |
0 |
0.080 |
9 |
13 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19632 |
113.3 |
-1.3 |
0.514 |
2 |
0 |
0 |
0.018 |
10 |
14 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
20112 |
112.0 |
-1.4 |
0.490 |
2 |
0 |
0 |
0.018 |
11 |
15 |
|
[H4B]B:600 |
13 |
1 |
395 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
19632 |
110.1 |
-0.2 |
0.282 |
1 |
0 |
0 |
0.010 |
16 |
|
[H4B]A:600 |
13 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20112 |
108.5 |
-0.2 |
0.276 |
1 |
0 |
0 |
0.010 |
Average: |
109.3 |
-0.2 |
0.279 |
1 |
0 |
0 |
0.010 |
12 |
17 |
|
[GOL]B:880 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
20112 |
90.0 |
0.3 |
0.657 |
3 |
0 |
0 |
0.008 |
13 |
18 |
|
[GOL]A:880 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19632 |
86.0 |
-0.2 |
0.569 |
3 |
0 |
0 |
0.012 |
14 |
19 |
|
B |
13 |
4 |
20112 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
19632 |
81.9 |
-1.0 |
0.412 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[ACT]A:861 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
19632 |
75.0 |
1.3 |
0.873 |
3 |
0 |
0 |
0.000 |
21 |
|
[ACT]B:861 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
20112 |
71.8 |
1.4 |
0.869 |
3 |
0 |
0 |
0.000 |
Average: |
73.4 |
1.3 |
0.871 |
3 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]B:870 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
20112 |
71.1 |
2.6 |
0.547 |
4 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]A:870 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
19632 |
70.8 |
2.6 |
0.550 |
4 |
0 |
0 |
0.000 |
18 |
24 |
|
A |
10 |
5 |
19632 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
20112 |
62.3 |
-0.5 |
0.496 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[GOL]B:880 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
19632 |
61.1 |
-0.3 |
0.578 |
0 |
0 |
0 |
0.002 |
20 |
26 |
|
[GOL]A:880 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
16 |
3 |
20112 |
59.1 |
-0.1 |
0.587 |
0 |
0 |
0 |
0.001 |
21 |
27 |
|
[H4B]A:600 |
5 |
1 |
395 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
812 |
43.0 |
-1.3 |
0.397 |
2 |
0 |
0 |
0.032 |
28 |
|
[H4B]B:600 |
5 |
1 |
395 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
825 |
41.7 |
-1.3 |
0.412 |
1 |
0 |
0 |
0.032 |
Average: |
42.3 |
-1.3 |
0.405 |
2 |
0 |
0 |
0.032 |
22 |
29 |
|
[GOL]A:880 |
4 |
1 |
218 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
7 |
1 |
395 |
42.6 |
-0.2 |
0.269 |
3 |
0 |
0 |
0.012 |
23 |
30 |
|
[GOL]B:880 |
4 |
1 |
218 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
7 |
1 |
395 |
39.9 |
0.2 |
0.300 |
4 |
0 |
0 |
0.013 |
24 |
31 |
|
[EDO]A:870 |
3 |
1 |
185 |
f |
[W64]A:800 |
x,y,z |
1_555 |
6 |
1 |
554 |
39.8 |
0.4 |
0.852 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[EDO]B:870 |
3 |
1 |
185 |
f |
[W64]B:800 |
x,y,z |
1_555 |
6 |
1 |
553 |
38.0 |
0.4 |
0.860 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[EDO]B:870 |
4 |
1 |
185 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
3 |
1 |
183 |
35.0 |
0.7 |
0.829 |
1 |
0 |
0 |
0.000 |
27 |
34 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19632 |
34.5 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.247 |
35 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20112 |
34.4 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.247 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.247 |
28 |
36 |
|
[EDO]A:870 |
4 |
1 |
185 |
f |
[ACT]A:861 |
x,y,z |
1_555 |
3 |
1 |
183 |
32.9 |
0.6 |
0.829 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
825 |
32.8 |
-0.9 |
0.757 |
0 |
0 |
0 |
0.007 |
30 |
38 |
|
[ACT]A:861 |
1 |
1 |
183 |
f |
[W64]A:800 |
x,y,z |
1_555 |
5 |
1 |
554 |
31.8 |
-0.9 |
0.435 |
0 |
0 |
0 |
0.007 |
31 |
39 |
|
[ACT]B:861 |
1 |
1 |
183 |
f |
[W64]B:800 |
x,y,z |
1_555 |
8 |
1 |
553 |
31.2 |
-0.9 |
0.457 |
0 |
0 |
0 |
0.007 |
32 |
40 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
812 |
31.2 |
-0.9 |
0.814 |
0 |
0 |
0 |
0.007 |
33 |
41 |
|
[EDO]B:870 |
2 |
1 |
185 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
4 |
1 |
825 |
18.7 |
-0.5 |
0.849 |
1 |
0 |
0 |
0.008 |
34 |
42 |
|
[EDO]A:870 |
1 |
1 |
185 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
812 |
18.4 |
-0.1 |
0.990 |
0 |
0 |
0 |
0.001 |
35 |
43 |
|
[GOL]A:880 |
1 |
1 |
218 |
f |
[W64]A:800 |
x,y,z |
1_555 |
3 |
1 |
554 |
12.7 |
-0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
[ACT]B:861 |
1 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
1 |
1 |
825 |
9.8 |
-0.7 |
0.358 |
0 |
0 |
0 |
0.005 |
37 |
45 |
|
[W64]B:800 |
2 |
1 |
553 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
2 |
1 |
395 |
8.6 |
-0.2 |
0.406 |
0 |
0 |
0 |
0.002 |
46 |
|
[W64]A:800 |
2 |
1 |
554 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
2 |
1 |
395 |
7.5 |
-0.1 |
0.403 |
0 |
0 |
0 |
0.002 |
Average: |
8.0 |
-0.2 |
0.405 |
0 |
0 |
0 |
0.002 |
38 |
47 |
|
[GOL]B:880 |
2 |
1 |
218 |
f |
[W64]B:800 |
x,y,z |
1_555 |
2 |
1 |
553 |
7.9 |
-0.2 |
0.652 |
0 |
0 |
0 |
0.002 |
39 |
48 |
|
A |
2 |
1 |
19632 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
19632 |
6.8 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
40 |
49 |
|
[GOL]A:880 |
1 |
1 |
218 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
1 |
1 |
812 |
5.9 |
-0.3 |
0.403 |
0 |
0 |
0 |
0.002 |
41 |
50 |
|
[ACT]A:861 |
1 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
2 |
1 |
812 |
5.9 |
-0.4 |
0.587 |
0 |
0 |
0 |
0.003 |
42 |
51 |
|
[GOL]B:880 |
1 |
1 |
218 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
1 |
1 |
183 |
1.2 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|