## |
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 |
94 |
25 |
7701 |
◊ |
A |
x,y,z |
1_555 |
89 |
24 |
7406 |
875.3 |
-8.6 |
0.465 |
12 |
1 |
0 |
0.150 |
2 |
|
D |
87 |
25 |
7776 |
◊ |
C |
x,y,z |
1_555 |
94 |
25 |
7610 |
854.7 |
-9.6 |
0.394 |
9 |
1 |
0 |
0.150 |
Average: |
865.0 |
-9.1 |
0.429 |
11 |
1 |
0 |
0.150 |
2 |
3 |
|
[HEM]A:143 |
42 |
1 |
841 |
f |
A |
x,y,z |
1_555 |
69 |
26 |
7406 |
577.8 |
-20.1 |
0.352 |
0 |
0 |
0 |
0.224 |
4 |
|
[HEM]C:143 |
43 |
1 |
831 |
f |
C |
x,y,z |
1_555 |
67 |
26 |
7610 |
571.3 |
-19.8 |
0.354 |
1 |
0 |
0 |
0.224 |
Average: |
574.5 |
-19.9 |
0.353 |
1 |
0 |
0 |
0.224 |
3 |
5 |
|
[HEM]B:148 |
43 |
1 |
846 |
f |
B |
x,y,z |
1_555 |
63 |
25 |
7701 |
562.0 |
-19.3 |
0.309 |
0 |
0 |
0 |
0.327 |
6 |
|
[HEM]D:148 |
43 |
1 |
826 |
f |
D |
x,y,z |
1_555 |
64 |
25 |
7776 |
558.8 |
-19.0 |
0.304 |
0 |
0 |
0 |
0.327 |
Average: |
560.4 |
-19.2 |
0.306 |
0 |
0 |
0 |
0.327 |
4 |
7 |
|
C |
50 |
15 |
7610 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
7406 |
441.9 |
-4.5 |
0.499 |
3 |
0 |
0 |
0.026 |
5 |
8 |
|
B |
51 |
12 |
7701 |
◊ |
C |
x,y,z |
1_555 |
48 |
14 |
7610 |
412.5 |
-2.5 |
0.674 |
4 |
0 |
0 |
0.040 |
9 |
|
D |
46 |
10 |
7776 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
7406 |
402.3 |
-2.8 |
0.589 |
4 |
0 |
0 |
0.040 |
Average: |
407.4 |
-2.7 |
0.631 |
4 |
0 |
0 |
0.040 |
6 |
10 |
|
D |
49 |
16 |
7776 |
◊ |
D |
x-y,-y,-z+1/3 |
5_555 |
49 |
16 |
7776 |
408.0 |
1.9 |
0.878 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
45 |
11 |
7776 |
◊ |
C |
-y+1,x-y,z-1/3 |
2_654 |
36 |
10 |
7610 |
334.5 |
-3.0 |
0.431 |
1 |
0 |
0 |
0.037 |
8 |
12 |
|
A |
30 |
9 |
7406 |
◊ |
D |
x-y,-y+1,-z+1/3 |
5_565 |
38 |
11 |
7776 |
307.1 |
-3.0 |
0.438 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
A |
25 |
7 |
7406 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
22 |
9 |
7701 |
216.4 |
1.4 |
0.864 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
A |
20 |
4 |
7406 |
◊ |
C |
-y+1,x-y,z-1/3 |
2_654 |
27 |
9 |
7610 |
188.2 |
-2.4 |
0.428 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
C |
16 |
5 |
7610 |
◊ |
B |
-x+1,-x+y,-z+2/3 |
6_655 |
20 |
7 |
7701 |
185.7 |
-0.2 |
0.727 |
2 |
3 |
0 |
0.000 |
12 |
16 |
|
D |
18 |
6 |
7776 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
7701 |
179.7 |
2.2 |
0.891 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
C |
18 |
8 |
7610 |
◊ |
C |
x-y,-y,-z+1/3 |
5_555 |
18 |
8 |
7610 |
169.8 |
-2.6 |
0.364 |
0 |
0 |
0 |
0.012 |
14 |
18 |
|
D |
19 |
5 |
7776 |
◊ |
C |
x-y,-y,-z+1/3 |
5_555 |
14 |
7 |
7610 |
156.9 |
-2.0 |
0.321 |
3 |
0 |
0 |
0.037 |
15 |
19 |
|
A |
13 |
4 |
7406 |
◊ |
B |
x-y,-y+1,-z+1/3 |
5_565 |
16 |
5 |
7701 |
143.0 |
-0.6 |
0.611 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
D |
12 |
4 |
7776 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
17 |
6 |
7701 |
123.2 |
-0.8 |
0.598 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[SO4]D:1005 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
7776 |
107.0 |
-15.8 |
0.798 |
4 |
0 |
0 |
0.195 |
18 |
22 |
|
[SO4]B:1003 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
7701 |
103.3 |
-15.9 |
0.796 |
5 |
0 |
0 |
0.176 |
19 |
23 |
|
[SO4]B:1011 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
7701 |
79.1 |
-11.3 |
0.576 |
2 |
0 |
0 |
0.118 |
20 |
24 |
|
[SO4]A:1007 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7406 |
76.2 |
-10.2 |
0.912 |
3 |
0 |
0 |
0.112 |
21 |
25 |
|
[SO4]C:1009 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
7610 |
75.9 |
-10.1 |
0.879 |
0 |
0 |
0 |
0.112 |
22 |
26 |
|
C |
9 |
4 |
7610 |
◊ |
A |
-x+1,-x+y,-z+2/3 |
6_655 |
7 |
4 |
7406 |
73.5 |
-1.4 |
0.356 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[SO4]B:1011 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
7776 |
73.3 |
-8.4 |
0.901 |
2 |
0 |
0 |
0.079 |
24 |
28 |
|
D |
9 |
6 |
7776 |
f |
[SO4]C:1013 |
-y+1,x-y,z-1/3 |
2_654 |
5 |
1 |
187 |
67.8 |
-9.6 |
0.702 |
3 |
0 |
0 |
0.121 |
25 |
29 |
|
[SO4]C:1013 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
7610 |
67.4 |
-9.0 |
0.858 |
1 |
0 |
0 |
0.103 |
26 |
30 |
|
[SO4]C:1009 |
4 |
1 |
187 |
◊ |
D |
x-y,-y,-z+1/3 |
5_555 |
9 |
3 |
7776 |
60.8 |
-8.6 |
0.720 |
1 |
0 |
0 |
0.100 |
27 |
31 |
|
[HEM]A:143 |
6 |
1 |
841 |
◊ |
B |
-y+1,x-y,z-1/3 |
2_654 |
8 |
2 |
7701 |
60.5 |
-2.5 |
0.602 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
[SO4]B:1001 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
7701 |
52.4 |
-5.6 |
0.917 |
1 |
0 |
0 |
0.059 |
29 |
33 |
|
[SO4]B:1001 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
7776 |
37.3 |
-4.3 |
0.786 |
1 |
0 |
0 |
0.041 |
30 |
34 |
|
A |
5 |
1 |
7406 |
◊ |
[HEM]B:148 |
-y+1,x-y,z-1/3 |
2_654 |
4 |
1 |
846 |
35.9 |
0.1 |
0.814 |
1 |
0 |
0 |
0.000 |
31 |
35 |
|
[SO4]C:1009 |
4 |
1 |
187 |
◊ |
B |
-x+1,-x+y,-z+2/3 |
6_655 |
4 |
2 |
7701 |
25.6 |
-2.0 |
0.911 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
D |
1 |
1 |
7776 |
◊ |
[SO4]C:1013 |
-x+1,-x+y,-z+2/3 |
6_655 |
2 |
1 |
187 |
22.2 |
-1.8 |
0.968 |
1 |
0 |
0 |
0.021 |
33 |
37 |
|
D |
2 |
1 |
7776 |
◊ |
[HEM]C:143 |
-y+1,x-y,z-1/3 |
2_654 |
3 |
1 |
831 |
18.8 |
-0.8 |
0.459 |
0 |
0 |
0 |
0.009 |
34 |
38 |
|
[SO4]A:1007 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7701 |
11.3 |
-1.6 |
0.550 |
0 |
0 |
0 |
0.015 |
35 |
39 |
|
A |
4 |
2 |
7406 |
◊ |
[SO4]B:1001 |
x-y,-y+1,-z+1/3 |
5_565 |
2 |
1 |
187 |
10.8 |
-1.3 |
0.812 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[SO4]B:1003 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7776 |
9.8 |
-1.1 |
0.773 |
0 |
0 |
0 |
0.009 |
37 |
41 |
|
[SO4]D:1005 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7701 |
6.1 |
-0.7 |
0.747 |
0 |
0 |
0 |
0.006 |
38 |
42 |
|
A |
1 |
1 |
7406 |
◊ |
[SO4]B:1003 |
x-y,-y+1,-z+1/3 |
5_565 |
1 |
1 |
186 |
4.3 |
-0.4 |
0.902 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
D |
1 |
1 |
7776 |
◊ |
C |
-x+1,-x+y,-z+2/3 |
6_655 |
1 |
1 |
7610 |
3.3 |
0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[HEM]D:148 |
1 |
1 |
826 |
◊ |
[HEM]C:143 |
-y+1,x-y,z-1/3 |
2_654 |
3 |
1 |
831 |
1.8 |
-0.2 |
0.915 |
0 |
0 |
0 |
0.002 |
41 |
45 |
|
[SO4]A:1007 |
1 |
1 |
186 |
◊ |
D |
x-y,-y+1,-z+1/3 |
5_565 |
1 |
1 |
7776 |
1.3 |
-0.1 |
0.865 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[HEM]D:148 |
1 |
1 |
826 |
◊ |
C |
-y+1,x-y,z-1/3 |
2_654 |
1 |
1 |
7610 |
0.6 |
-0.0 |
0.791 |
0 |
0 |
0 |
0.000 |
|