| ## |
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 |
|
C |
65 |
21 |
10386 |
◊ |
B |
x,y,z |
1_555 |
65 |
22 |
10274 |
677.0 |
0.5 |
0.625 |
13 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
62 |
22 |
10298 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
68 |
21 |
10298 |
564.3 |
-1.1 |
0.528 |
4 |
3 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]C:903 |
43 |
1 |
820 |
f |
C |
x,y,z |
1_555 |
67 |
21 |
10386 |
547.4 |
-18.0 |
0.367 |
3 |
0 |
0 |
0.228 |
4 |
|
[HEM]B:902 |
42 |
1 |
818 |
f |
B |
x,y,z |
1_555 |
67 |
22 |
10274 |
538.8 |
-17.9 |
0.340 |
2 |
0 |
0 |
0.228 |
5 |
|
[HEM]A:901 |
43 |
1 |
815 |
f |
A |
x,y,z |
1_555 |
73 |
23 |
10298 |
491.3 |
-15.2 |
0.515 |
4 |
0 |
0 |
0.228 |
| Average: |
525.9 |
-17.0 |
0.407 |
3 |
0 |
0 |
0.228 |
| 4 |
6 |
|
A |
55 |
14 |
10298 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
55 |
17 |
10274 |
502.7 |
-0.2 |
0.570 |
12 |
1 |
0 |
0.036 |
| 5 |
7 |
|
B |
40 |
11 |
10274 |
◊ |
A |
x,y,z |
1_555 |
63 |
18 |
10298 |
479.0 |
-1.0 |
0.517 |
6 |
2 |
0 |
0.000 |
| 6 |
8 |
|
C |
50 |
14 |
10386 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
53 |
18 |
10274 |
477.5 |
-2.0 |
0.382 |
4 |
0 |
0 |
0.021 |
| 7 |
9 |
|
B |
60 |
15 |
10274 |
◊ |
C |
x-1,y,z |
1_455 |
60 |
14 |
10386 |
456.2 |
-5.5 |
0.172 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
C |
45 |
15 |
10386 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
49 |
13 |
10386 |
433.7 |
0.2 |
0.353 |
4 |
1 |
0 |
0.000 |
| 9 |
11 |
|
B |
22 |
8 |
10274 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
5 |
10298 |
182.4 |
0.2 |
0.593 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[SUC]A:3001 |
14 |
1 |
448 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
22 |
7 |
10298 |
169.9 |
1.1 |
0.456 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[SUC]A:3001 |
11 |
1 |
448 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
10298 |
136.3 |
0.3 |
0.400 |
3 |
0 |
0 |
0.007 |
| 12 |
14 |
|
[HEM]A:901 |
12 |
1 |
815 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
21 |
6 |
10298 |
127.2 |
-4.0 |
0.540 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
A |
20 |
10 |
10298 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
16 |
5 |
10274 |
126.4 |
0.4 |
0.640 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[HEM]C:903 |
9 |
1 |
820 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
10274 |
125.5 |
-3.9 |
0.417 |
1 |
0 |
0 |
0.024 |
| 15 |
17 |
|
[SO4]C:2002 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
10386 |
105.9 |
-13.9 |
0.810 |
2 |
0 |
0 |
0.082 |
| 16 |
18 |
|
[SO4]C:2012 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
10386 |
101.9 |
-15.2 |
0.574 |
2 |
0 |
0 |
0.090 |
| 17 |
19 |
|
[SO4]B:2001 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
10274 |
96.9 |
-11.9 |
0.934 |
4 |
0 |
0 |
0.087 |
| 18 |
20 |
|
[SO4]A:2007 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
10298 |
93.5 |
-14.2 |
0.570 |
2 |
0 |
0 |
0.096 |
| 19 |
21 |
|
[SO4]B:2009 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
10274 |
89.8 |
-12.7 |
0.746 |
2 |
0 |
0 |
0.086 |
| 20 |
22 |
|
[SO4]B:2008 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
10274 |
87.5 |
-13.7 |
0.459 |
3 |
0 |
0 |
0.096 |
| 21 |
23 |
|
[SO4]C:2005 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
10386 |
82.9 |
-12.3 |
0.653 |
3 |
0 |
0 |
0.076 |
| 22 |
24 |
|
[SO4]B:2006 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10274 |
81.1 |
-12.1 |
0.661 |
3 |
0 |
0 |
0.085 |
| 23 |
25 |
|
[SO4]A:2003 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
10298 |
79.3 |
-9.7 |
0.891 |
3 |
0 |
0 |
0.070 |
| 24 |
26 |
|
[SO4]A:2011 |
5 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
9 |
4 |
10274 |
72.8 |
-9.6 |
0.644 |
2 |
0 |
0 |
0.067 |
| 25 |
27 |
|
[SO4]A:2011 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10298 |
68.8 |
-9.9 |
0.578 |
3 |
0 |
0 |
0.072 |
| 26 |
28 |
|
[SO4]C:2010 |
5 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
3 |
10274 |
67.0 |
-8.0 |
0.832 |
3 |
0 |
0 |
0.052 |
| 27 |
29 |
|
[SO4]C:2010 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
2 |
10386 |
66.8 |
-8.8 |
0.841 |
3 |
0 |
0 |
0.057 |
| 28 |
30 |
|
[HEM]A:901 |
11 |
1 |
815 |
f |
[SUC]A:3001 |
x,y,z |
1_555 |
5 |
1 |
448 |
64.4 |
-1.5 |
0.406 |
0 |
0 |
0 |
0.010 |
| 29 |
31 |
|
[SO4]C:2004 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
10386 |
62.9 |
-8.9 |
0.566 |
2 |
0 |
0 |
0.054 |
| 30 |
32 |
|
[OXY]C:5003 |
2 |
1 |
120 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
10386 |
54.9 |
0.9 |
0.773 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[OXY]B:5002 |
2 |
1 |
120 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10274 |
54.3 |
0.9 |
0.766 |
1 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[OXY]A:5001 |
2 |
1 |
119 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
10298 |
52.5 |
0.8 |
0.798 |
1 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[SO4]A:2003 |
4 |
1 |
185 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
7 |
4 |
10298 |
47.7 |
-5.6 |
0.866 |
2 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[OXY]C:5003 |
2 |
1 |
120 |
f |
[HEM]C:903 |
x,y,z |
1_555 |
17 |
1 |
820 |
42.5 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.002 |
| 35 |
37 |
|
[OXY]B:5002 |
2 |
1 |
120 |
f |
[HEM]B:902 |
x,y,z |
1_555 |
19 |
1 |
818 |
42.4 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.003 |
| 36 |
38 |
|
[OXY]A:5001 |
2 |
1 |
119 |
cf |
[HEM]A:901 |
x,y,z |
1_555 |
19 |
1 |
815 |
40.3 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.001 |
| 37 |
39 |
|
[HEM]A:901 |
6 |
1 |
815 |
f |
[SO4]A:2003 |
x,y,z |
1_555 |
4 |
1 |
185 |
35.7 |
-4.9 |
0.954 |
0 |
0 |
0 |
0.031 |
| 38 |
40 |
|
C |
4 |
1 |
10386 |
x |
C |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
1 |
10386 |
35.5 |
0.3 |
0.688 |
1 |
2 |
0 |
0.000 |
| 39 |
41 |
|
[HEM]B:902 |
5 |
1 |
818 |
f |
[SO4]B:2001 |
x,y,z |
1_555 |
3 |
1 |
186 |
26.4 |
-4.2 |
0.916 |
0 |
0 |
0 |
0.027 |
| 40 |
42 |
|
C |
3 |
3 |
10386 |
◊ |
[SO4]C:2004 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
185 |
25.9 |
-3.5 |
0.580 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
[SO4]A:2011 |
2 |
1 |
185 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
3 |
3 |
10298 |
15.8 |
-1.8 |
0.851 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
C |
2 |
1 |
10386 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10298 |
11.9 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
| 43 |
45 |
|
A |
2 |
1 |
10298 |
◊ |
[HEM]B:902 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
818 |
11.0 |
-0.4 |
0.535 |
0 |
0 |
0 |
0.002 |
|