## |
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 |
283 |
72 |
19857 |
◊ |
A |
x,y,z |
1_555 |
269 |
69 |
20007 |
2595.7 |
-39.2 |
0.010 |
32 |
12 |
0 |
0.475 |
2 |
2 |
|
A |
83 |
26 |
20007 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
98 |
31 |
19857 |
727.6 |
0.5 |
0.811 |
7 |
7 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:500 |
43 |
1 |
841 |
f |
A |
x,y,z |
1_555 |
83 |
26 |
20007 |
535.7 |
-18.8 |
0.329 |
1 |
0 |
0 |
0.318 |
4 |
|
[HEM]B:500 |
43 |
1 |
820 |
f |
B |
x,y,z |
1_555 |
78 |
26 |
19857 |
502.8 |
-17.3 |
0.385 |
1 |
0 |
0 |
0.318 |
Average: |
519.2 |
-18.0 |
0.357 |
1 |
0 |
0 |
0.318 |
4 |
5 |
|
A |
50 |
14 |
20007 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
54 |
19 |
20007 |
439.4 |
-4.5 |
0.354 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
[XFM]A:800 |
26 |
1 |
624 |
f |
A |
x,y,z |
1_555 |
52 |
21 |
20007 |
335.2 |
-0.3 |
0.509 |
3 |
0 |
0 |
0.014 |
6 |
7 |
|
B |
36 |
15 |
19857 |
x |
B |
x-1,y,z |
1_455 |
38 |
14 |
19857 |
314.1 |
-2.0 |
0.552 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
[XFM]B:800 |
25 |
1 |
621 |
f |
B |
x,y,z |
1_555 |
43 |
17 |
19857 |
312.3 |
0.7 |
0.558 |
3 |
0 |
0 |
0.006 |
8 |
9 |
|
[H4B]B:600 |
16 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
19857 |
188.1 |
1.9 |
0.520 |
3 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:600 |
16 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
20007 |
186.8 |
1.8 |
0.447 |
3 |
0 |
0 |
0.000 |
Average: |
187.4 |
1.9 |
0.484 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
[XFM]B:800 |
16 |
1 |
621 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
33 |
1 |
820 |
169.2 |
-3.9 |
0.682 |
0 |
0 |
0 |
0.034 |
10 |
12 |
|
[XFM]A:800 |
14 |
1 |
624 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
36 |
1 |
841 |
165.6 |
-2.9 |
0.711 |
0 |
0 |
0 |
0.025 |
11 |
13 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
19857 |
122.7 |
-1.8 |
0.486 |
1 |
0 |
0 |
0.019 |
12 |
14 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
20007 |
121.0 |
-2.0 |
0.439 |
1 |
0 |
0 |
0.021 |
13 |
15 |
|
[H4B]A:600 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
19857 |
118.3 |
-0.2 |
0.269 |
0 |
0 |
0 |
0.002 |
14 |
16 |
|
[H4B]B:600 |
13 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
20007 |
112.4 |
-0.3 |
0.263 |
1 |
0 |
0 |
0.007 |
15 |
17 |
|
[ACT]B:850 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
19857 |
94.5 |
0.4 |
0.779 |
4 |
0 |
0 |
0.011 |
16 |
18 |
|
[CAD]B:950 |
3 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
19857 |
92.7 |
0.3 |
0.191 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[CAD]A:950 |
3 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
20007 |
91.3 |
-0.9 |
0.186 |
0 |
0 |
0 |
0.008 |
18 |
20 |
|
[CAD]B:950 |
3 |
1 |
208 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
4 |
19857 |
82.9 |
0.9 |
0.297 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
A |
13 |
7 |
20007 |
◊ |
[CAD]A:950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
210 |
80.9 |
2.0 |
0.409 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[GOL]B:880 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
19857 |
75.3 |
0.2 |
0.651 |
1 |
0 |
0 |
0.002 |
21 |
23 |
|
[GOL]A:880 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20007 |
72.8 |
-0.4 |
0.536 |
0 |
0 |
0 |
0.003 |
22 |
24 |
|
[GOL]B:880 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
20007 |
58.2 |
0.7 |
0.726 |
1 |
0 |
0 |
0.000 |
23 |
25 |
|
B |
8 |
3 |
19857 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
20007 |
48.6 |
-0.5 |
0.517 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[GOL]B:880 |
5 |
1 |
219 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
6 |
1 |
397 |
46.6 |
-0.1 |
0.297 |
1 |
0 |
0 |
0.004 |
25 |
27 |
|
[H4B]B:600 |
5 |
1 |
397 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
820 |
40.1 |
-1.3 |
0.370 |
1 |
0 |
0 |
0.033 |
28 |
|
[H4B]A:600 |
5 |
1 |
397 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
841 |
39.5 |
-1.6 |
0.344 |
1 |
0 |
0 |
0.033 |
Average: |
39.8 |
-1.5 |
0.357 |
1 |
0 |
0 |
0.033 |
26 |
29 |
|
[XFM]A:800 |
8 |
1 |
624 |
f |
[GOL]A:880 |
x,y,z |
1_555 |
4 |
1 |
220 |
38.3 |
-0.4 |
0.499 |
0 |
0 |
0 |
0.003 |
27 |
30 |
|
[GOL]A:880 |
3 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
19857 |
37.5 |
-0.1 |
0.528 |
0 |
0 |
0 |
0.001 |
28 |
31 |
|
[GOL]A:880 |
4 |
1 |
220 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
4 |
1 |
397 |
35.6 |
-0.5 |
0.221 |
1 |
0 |
0 |
0.008 |
29 |
32 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20007 |
34.4 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.259 |
33 |
|
[ZN]B:900 |
1 |
1 |
98 |
c |
B |
x,y,z |
1_555 |
4 |
3 |
19857 |
34.2 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.259 |
Average: |
34.3 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.259 |
30 |
34 |
|
A |
5 |
3 |
20007 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
19857 |
34.1 |
-0.5 |
0.429 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[XFM]B:800 |
4 |
1 |
621 |
f |
[ACT]B:850 |
x,y,z |
1_555 |
3 |
1 |
184 |
34.1 |
1.0 |
0.721 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
B |
2 |
1 |
19857 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
20007 |
30.0 |
1.2 |
0.949 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[ACT]A:860 |
1 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
841 |
29.0 |
-0.9 |
0.494 |
0 |
0 |
0 |
0.008 |
34 |
38 |
|
[ACT]B:860 |
1 |
1 |
182 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
820 |
27.3 |
-0.9 |
0.494 |
0 |
0 |
0 |
0.008 |
35 |
39 |
|
[ACT]B:850 |
1 |
1 |
184 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
4 |
1 |
820 |
19.6 |
-0.8 |
0.660 |
0 |
0 |
0 |
0.007 |
36 |
40 |
|
[GOL]A:880 |
2 |
1 |
220 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
2 |
1 |
841 |
16.6 |
-0.7 |
0.564 |
0 |
0 |
0 |
0.006 |
37 |
41 |
|
[XFM]B:800 |
2 |
1 |
621 |
f |
[GOL]B:880 |
x,y,z |
1_555 |
1 |
1 |
219 |
1.1 |
-0.0 |
0.493 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
[XFM]B:800 |
1 |
1 |
621 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20007 |
0.3 |
0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
|