| ## |
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 |
110 |
30 |
11042 |
◊ |
A |
x,y,z |
1_555 |
111 |
30 |
11147 |
1077.0 |
-1.4 |
0.568 |
15 |
5 |
0 |
0.000 |
| 2 |
2 |
|
[HEM]A:300 |
42 |
1 |
805 |
f |
A |
x,y,z |
1_555 |
69 |
22 |
11147 |
491.7 |
-15.2 |
0.477 |
2 |
0 |
0 |
0.039 |
3 |
|
[HEM]B:300 |
42 |
1 |
810 |
f |
B |
x,y,z |
1_555 |
68 |
21 |
11042 |
489.5 |
-15.7 |
0.457 |
3 |
0 |
0 |
0.039 |
| Average: |
490.6 |
-15.4 |
0.467 |
3 |
0 |
0 |
0.039 |
| 3 |
4 |
|
A |
43 |
13 |
11147 |
x |
A |
-x,y-1/2,-z |
2_545 |
46 |
18 |
11147 |
466.9 |
0.8 |
0.590 |
6 |
1 |
0 |
0.000 |
5 |
|
B |
44 |
17 |
11042 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
41 |
13 |
11042 |
453.1 |
3.4 |
0.827 |
6 |
2 |
0 |
0.000 |
| Average: |
460.0 |
2.1 |
0.708 |
6 |
2 |
0 |
0.000 |
| 4 |
6 |
|
B |
34 |
11 |
11042 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
12 |
11042 |
352.9 |
0.1 |
0.617 |
5 |
5 |
0 |
0.000 |
7 |
|
A |
36 |
11 |
11147 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
37 |
11 |
11147 |
331.8 |
0.1 |
0.596 |
5 |
5 |
0 |
0.000 |
| Average: |
342.3 |
0.1 |
0.607 |
5 |
5 |
0 |
0.000 |
| 5 |
8 |
|
[Q86]A:301 |
16 |
1 |
423 |
f |
A |
x,y,z |
1_555 |
39 |
16 |
11147 |
236.6 |
-4.8 |
0.446 |
0 |
0 |
0 |
0.011 |
9 |
|
[Q86]B:301 |
16 |
1 |
424 |
f |
B |
x,y,z |
1_555 |
38 |
17 |
11042 |
236.0 |
-4.9 |
0.441 |
0 |
0 |
0 |
0.011 |
| Average: |
236.3 |
-4.8 |
0.444 |
0 |
0 |
0 |
0.011 |
| 6 |
10 |
|
A |
26 |
7 |
11147 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
24 |
8 |
11042 |
220.7 |
-1.1 |
0.275 |
1 |
2 |
0 |
0.000 |
11 |
|
A |
22 |
9 |
11147 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
25 |
8 |
11042 |
190.8 |
-2.0 |
0.188 |
0 |
0 |
0 |
0.000 |
| Average: |
205.7 |
-1.6 |
0.232 |
1 |
1 |
0 |
0.000 |
| 7 |
12 |
|
[HEZ]A:401 |
8 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
11147 |
138.5 |
3.2 |
0.036 |
0 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[HEZ]B:401 |
8 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
11042 |
131.2 |
2.4 |
0.032 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
A |
13 |
8 |
11147 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
7 |
11042 |
124.5 |
3.1 |
0.912 |
3 |
6 |
0 |
0.000 |
| 10 |
15 |
|
[SO4]B:402 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11042 |
89.6 |
-13.2 |
0.871 |
4 |
0 |
0 |
0.034 |
| 11 |
16 |
|
[SO4]A:402 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11147 |
87.5 |
-12.9 |
0.857 |
4 |
0 |
0 |
0.035 |
| 12 |
17 |
|
[HEZ]A:401 |
7 |
1 |
294 |
◊ |
[HEM]A:300 |
x,y,z |
1_555 |
15 |
1 |
805 |
80.3 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[HEZ]B:401 |
8 |
1 |
294 |
◊ |
[HEM]B:300 |
x,y,z |
1_555 |
17 |
1 |
810 |
80.0 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[Q86]A:301 |
9 |
1 |
423 |
f |
[HEM]A:300 |
x,y,z |
1_555 |
26 |
1 |
805 |
76.7 |
-2.2 |
0.989 |
0 |
0 |
0 |
0.005 |
20 |
|
[Q86]B:301 |
7 |
1 |
424 |
f |
[HEM]B:300 |
x,y,z |
1_555 |
25 |
1 |
810 |
76.0 |
-2.2 |
0.974 |
0 |
0 |
0 |
0.005 |
| Average: |
76.4 |
-2.2 |
0.982 |
0 |
0 |
0 |
0.005 |
| 15 |
21 |
|
A |
8 |
3 |
11147 |
◊ |
[HEM]A:300 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
805 |
59.6 |
-2.3 |
0.437 |
0 |
0 |
0 |
0.000 |
22 |
|
[HEM]B:300 |
5 |
1 |
810 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
11042 |
54.0 |
-2.0 |
0.515 |
0 |
0 |
0 |
0.000 |
| Average: |
56.8 |
-2.1 |
0.476 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[HEZ]B:401 |
6 |
1 |
294 |
◊ |
[Q86]B:301 |
x,y,z |
1_555 |
5 |
1 |
424 |
48.2 |
1.1 |
0.949 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[HEZ]A:401 |
5 |
1 |
294 |
◊ |
[Q86]A:301 |
x,y,z |
1_555 |
4 |
1 |
423 |
36.4 |
0.8 |
0.942 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
A |
3 |
3 |
11147 |
◊ |
[SO4]A:402 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
184 |
35.9 |
-4.2 |
0.509 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[SO4]B:402 |
4 |
1 |
186 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
5 |
3 |
11042 |
29.8 |
-3.5 |
0.601 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[SO4]B:402 |
4 |
1 |
186 |
f |
[HEM]B:300 |
x,y,z |
1_555 |
4 |
1 |
810 |
29.6 |
-4.9 |
0.781 |
0 |
0 |
0 |
0.011 |
| 21 |
28 |
|
[SO4]A:402 |
3 |
1 |
184 |
f |
[HEM]A:300 |
x,y,z |
1_555 |
4 |
1 |
805 |
28.0 |
-4.7 |
0.759 |
0 |
0 |
0 |
0.011 |
| 22 |
29 |
|
A |
4 |
2 |
11147 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
3 |
11042 |
23.8 |
0.4 |
0.679 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
4 |
2 |
11147 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
11042 |
17.1 |
-0.0 |
0.545 |
0 |
0 |
0 |
0.000 |
| Average: |
20.5 |
0.2 |
0.612 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
B |
2 |
1 |
11042 |
x |
B |
x-1,y,z |
1_455 |
3 |
2 |
11042 |
21.5 |
-0.3 |
0.406 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
1 |
1 |
11147 |
x |
A |
x-1,y,z |
1_455 |
3 |
2 |
11147 |
17.0 |
0.4 |
0.574 |
0 |
0 |
0 |
0.000 |
| Average: |
19.2 |
0.0 |
0.490 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
A |
4 |
3 |
11147 |
f |
[HEZ]A:401 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
294 |
12.7 |
0.4 |
0.844 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[HEZ]B:401 |
1 |
1 |
294 |
f |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
11042 |
8.0 |
0.2 |
0.875 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[HEM]A:300 |
1 |
1 |
805 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
11042 |
5.5 |
-0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
2 |
1 |
11147 |
◊ |
[HEM]B:300 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
810 |
5.4 |
-0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
| Average: |
5.5 |
-0.1 |
0.725 |
0 |
0 |
0 |
0.000 |
|