## |
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 |
71 |
21 |
10148 |
◊ |
B |
x,y,z |
1_555 |
68 |
22 |
10368 |
727.1 |
-0.0 |
0.583 |
12 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
64 |
18 |
10266 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
68 |
18 |
10368 |
609.0 |
-1.3 |
0.478 |
7 |
2 |
0 |
0.000 |
3 |
3 |
|
A |
61 |
19 |
10266 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
74 |
21 |
10266 |
606.0 |
0.3 |
0.641 |
8 |
3 |
0 |
0.000 |
4 |
4 |
|
B |
54 |
14 |
10368 |
◊ |
A |
x,y,z |
1_555 |
66 |
17 |
10266 |
546.7 |
0.1 |
0.573 |
6 |
2 |
0 |
0.000 |
5 |
5 |
|
[HEM]C:903 |
43 |
1 |
816 |
f |
C |
x,y,z |
1_555 |
72 |
22 |
10148 |
542.3 |
-17.6 |
0.386 |
2 |
0 |
0 |
0.192 |
6 |
|
[HEM]B:902 |
42 |
1 |
812 |
f |
B |
x,y,z |
1_555 |
62 |
22 |
10368 |
539.5 |
-17.3 |
0.441 |
3 |
0 |
0 |
0.192 |
7 |
|
[HEM]A:901 |
43 |
1 |
782 |
f |
A |
x,y,z |
1_555 |
67 |
23 |
10266 |
495.3 |
-15.7 |
0.430 |
3 |
0 |
0 |
0.192 |
Average: |
525.7 |
-16.9 |
0.419 |
3 |
0 |
0 |
0.192 |
6 |
8 |
|
B |
61 |
15 |
10368 |
◊ |
C |
x-1,y,z |
1_455 |
59 |
14 |
10148 |
465.5 |
-5.5 |
0.179 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
C |
40 |
13 |
10148 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
47 |
15 |
10368 |
404.1 |
-4.0 |
0.207 |
3 |
0 |
0 |
0.028 |
8 |
10 |
|
C |
40 |
14 |
10148 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
43 |
12 |
10148 |
390.6 |
-0.6 |
0.445 |
5 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
24 |
10 |
10368 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
8 |
10266 |
184.4 |
-0.6 |
0.496 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
[HEM]C:903 |
8 |
1 |
816 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
10368 |
125.7 |
-3.7 |
0.386 |
0 |
0 |
0 |
0.019 |
11 |
13 |
|
[HEM]A:901 |
9 |
1 |
782 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
19 |
5 |
10266 |
116.5 |
-3.0 |
0.502 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
A |
20 |
10 |
10266 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
15 |
6 |
10368 |
107.9 |
0.6 |
0.669 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[SO4]C:2010 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
10148 |
100.9 |
-15.6 |
0.642 |
2 |
0 |
0 |
0.085 |
14 |
16 |
|
[SO4]C:2002 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
10148 |
99.2 |
-14.5 |
0.522 |
2 |
0 |
0 |
0.079 |
15 |
17 |
|
[SO4]B:2005 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
10368 |
96.1 |
-13.2 |
0.855 |
3 |
0 |
0 |
0.075 |
16 |
18 |
|
[SO4]B:2003 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
10368 |
95.2 |
-14.2 |
0.617 |
2 |
0 |
0 |
0.078 |
17 |
19 |
|
[SO4]C:2001 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
10148 |
87.8 |
-12.4 |
0.757 |
2 |
0 |
0 |
0.069 |
18 |
20 |
|
A |
13 |
3 |
10266 |
f |
[SO4]A:2009 |
-x+1,y-1/2,-z |
2_645 |
5 |
1 |
185 |
85.5 |
-12.2 |
0.584 |
1 |
0 |
0 |
0.022 |
19 |
21 |
|
[SO4]B:2008 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10368 |
84.7 |
-10.9 |
0.818 |
2 |
0 |
0 |
0.061 |
20 |
22 |
|
[SO4]B:2004 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
10368 |
83.8 |
-12.1 |
0.727 |
2 |
0 |
0 |
0.067 |
21 |
23 |
|
[SO4]A:2007 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
10266 |
81.7 |
-13.2 |
0.597 |
0 |
0 |
0 |
0.023 |
22 |
24 |
|
[IOD]B:1003 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
10368 |
76.5 |
-0.3 |
0.632 |
0 |
0 |
0 |
0.002 |
23 |
25 |
|
[IOD]B:1004 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
10368 |
76.1 |
0.0 |
0.718 |
0 |
0 |
0 |
0.000 |
26 |
|
[IOD]A:1008 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
10266 |
68.6 |
-0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
Average: |
72.4 |
-0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[SO4]A:2011 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10266 |
73.3 |
-7.8 |
0.984 |
3 |
0 |
0 |
0.016 |
25 |
28 |
|
[IOD]C:1001 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
10148 |
73.2 |
-0.3 |
0.638 |
0 |
0 |
0 |
0.001 |
26 |
29 |
|
[SO4]B:2006 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10368 |
72.8 |
-10.3 |
0.633 |
2 |
0 |
0 |
0.058 |
27 |
30 |
|
[IOD]A:1006 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
10266 |
71.9 |
0.2 |
0.778 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[IOD]A:1009 |
1 |
1 |
144 |
f |
B |
-x,y-1/2,-z |
2_545 |
8 |
3 |
10368 |
70.7 |
-0.3 |
0.561 |
0 |
0 |
0 |
0.002 |
29 |
32 |
|
[IOD]B:1002 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
10368 |
69.3 |
0.1 |
0.725 |
0 |
0 |
0 |
0.000 |
33 |
|
[IOD]A:1007 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
10266 |
64.6 |
-0.0 |
0.746 |
0 |
0 |
0 |
0.000 |
Average: |
67.0 |
0.0 |
0.736 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
C |
12 |
2 |
10148 |
◊ |
[SO4]B:2008 |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
185 |
69.0 |
-9.8 |
0.695 |
2 |
0 |
0 |
0.055 |
31 |
35 |
|
[NA]B:4001 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10368 |
67.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.055 |
32 |
36 |
|
[IOD]B:1005 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
10368 |
64.3 |
-0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[SO4]C:2002 |
4 |
1 |
184 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
2 |
10148 |
57.0 |
-7.1 |
0.789 |
2 |
0 |
0 |
0.000 |
34 |
38 |
|
[SO4]A:2009 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
10266 |
55.4 |
-7.3 |
0.749 |
2 |
0 |
0 |
0.000 |
35 |
39 |
|
A |
10 |
4 |
10266 |
◊ |
[IOD]B:1005 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
144 |
52.2 |
-0.2 |
0.667 |
0 |
0 |
0 |
0.000 |
40 |
|
C |
9 |
4 |
10148 |
◊ |
[IOD]C:1001 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
144 |
43.4 |
-0.2 |
0.658 |
0 |
0 |
0 |
0.000 |
Average: |
47.8 |
-0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
[SO4]A:2011 |
5 |
1 |
185 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
7 |
5 |
10266 |
51.4 |
-6.2 |
0.826 |
1 |
0 |
0 |
0.000 |
37 |
42 |
|
[SO4]B:2006 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10266 |
45.4 |
-6.2 |
0.617 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
A |
3 |
1 |
10266 |
◊ |
[HEM]B:902 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
812 |
43.2 |
-0.2 |
0.851 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[HEM]B:902 |
8 |
1 |
812 |
f |
[IOD]B:1002 |
x,y,z |
1_555 |
1 |
1 |
144 |
39.8 |
-0.5 |
0.999 |
0 |
0 |
0 |
0.003 |
45 |
|
[HEM]A:901 |
7 |
1 |
782 |
f |
[IOD]A:1007 |
x,y,z |
1_555 |
1 |
1 |
144 |
30.8 |
-0.5 |
0.996 |
0 |
0 |
0 |
0.003 |
Average: |
35.3 |
-0.5 |
0.998 |
0 |
0 |
0 |
0.003 |
40 |
46 |
|
[NA]B:4002 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
10368 |
37.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.022 |
41 |
47 |
|
[IOD]A:1009 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
10266 |
36.1 |
0.1 |
0.779 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[SO4]C:2012 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
10148 |
33.7 |
-4.7 |
0.509 |
0 |
0 |
0 |
0.025 |
43 |
49 |
|
[HEM]A:901 |
5 |
1 |
782 |
f |
[SO4]A:2011 |
x,y,z |
1_555 |
4 |
1 |
185 |
31.6 |
-4.6 |
0.926 |
0 |
0 |
0 |
0.008 |
44 |
50 |
|
C |
2 |
1 |
10148 |
◊ |
[SO4]C:2010 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
185 |
28.6 |
-2.6 |
0.975 |
1 |
0 |
0 |
0.000 |
45 |
51 |
|
[HEM]B:902 |
4 |
1 |
812 |
f |
[SO4]B:2005 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.3 |
-4.4 |
0.826 |
0 |
0 |
0 |
0.023 |
46 |
52 |
|
[IOD]A:1007 |
1 |
1 |
144 |
f |
[IOD]A:1006 |
x,y,z |
1_555 |
1 |
1 |
144 |
25.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
47 |
53 |
|
[IOD]B:1004 |
1 |
1 |
144 |
f |
[IOD]B:1002 |
x,y,z |
1_555 |
1 |
1 |
144 |
24.3 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
48 |
54 |
|
C |
3 |
3 |
10148 |
x |
C |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
4 |
10148 |
23.1 |
0.5 |
0.728 |
0 |
0 |
0 |
0.000 |
49 |
55 |
|
[SO4]C:2012 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
10368 |
21.8 |
-2.9 |
0.685 |
0 |
0 |
0 |
0.000 |
50 |
56 |
|
[IOD]A:1008 |
1 |
1 |
144 |
f |
[IOD]A:1007 |
x,y,z |
1_555 |
1 |
1 |
144 |
21.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
[HEM]B:902 |
9 |
1 |
812 |
f |
[IOD]B:1004 |
x,y,z |
1_555 |
1 |
1 |
144 |
19.4 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.003 |
58 |
|
[HEM]A:901 |
8 |
1 |
782 |
f |
[IOD]A:1008 |
x,y,z |
1_555 |
1 |
1 |
144 |
19.3 |
-0.5 |
0.999 |
0 |
0 |
0 |
0.003 |
Average: |
19.3 |
-0.5 |
0.999 |
0 |
0 |
0 |
0.003 |
52 |
59 |
|
[IOD]A:1008 |
1 |
1 |
144 |
f |
[IOD]A:1006 |
x,y,z |
1_555 |
1 |
1 |
144 |
13.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
60 |
|
[SO4]C:2012 |
3 |
1 |
184 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
10148 |
12.0 |
-1.0 |
0.927 |
0 |
0 |
0 |
0.000 |
54 |
61 |
|
C |
1 |
1 |
10148 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
10148 |
4.5 |
0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
55 |
62 |
|
[HEM]A:901 |
1 |
1 |
782 |
f |
[IOD]A:1006 |
x,y,z |
1_555 |
1 |
1 |
144 |
3.2 |
-0.0 |
0.952 |
0 |
0 |
0 |
0.000 |
56 |
63 |
|
A |
1 |
1 |
10266 |
◊ |
[SO4]A:2007 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
185 |
0.2 |
-0.0 |
0.820 |
0 |
0 |
0 |
0.000 |
|