## |
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 |
71 |
21 |
7219 |
◊ |
A |
x,y,z |
1_555 |
68 |
22 |
7139 |
653.6 |
0.3 |
0.500 |
11 |
0 |
0 |
0.039 |
2 |
2 |
|
B |
64 |
19 |
7219 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
49 |
16 |
7139 |
491.8 |
-1.9 |
0.280 |
6 |
0 |
0 |
0.039 |
3 |
3 |
|
[HEM]A:200 |
41 |
1 |
804 |
f |
A |
x,y,z |
1_555 |
61 |
17 |
7139 |
479.9 |
-18.2 |
0.136 |
3 |
0 |
0 |
0.169 |
4 |
4 |
|
C |
47 |
17 |
7165 |
◊ |
A |
x,y,z |
1_555 |
48 |
16 |
7139 |
423.0 |
0.3 |
0.421 |
8 |
3 |
0 |
0.032 |
5 |
5 |
|
[HEM]C:200 |
39 |
1 |
797 |
f |
C |
x,y,z |
1_555 |
54 |
14 |
7165 |
382.6 |
-14.8 |
0.163 |
2 |
0 |
0 |
0.376 |
6 |
|
[HEM]B:200 |
37 |
1 |
794 |
f |
B |
x,y,z |
1_555 |
53 |
15 |
7219 |
375.9 |
-14.5 |
0.138 |
2 |
0 |
0 |
0.376 |
Average: |
379.2 |
-14.7 |
0.150 |
2 |
0 |
0 |
0.376 |
6 |
7 |
|
A |
30 |
10 |
7139 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
35 |
12 |
7165 |
303.2 |
-3.6 |
0.133 |
1 |
0 |
0 |
0.034 |
7 |
8 |
|
B |
32 |
12 |
7219 |
◊ |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
31 |
13 |
7165 |
281.4 |
0.8 |
0.592 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
B |
22 |
6 |
7219 |
◊ |
[HEM]C:200 |
-x+1/2,-y-1,z-1/2 |
2_544 |
21 |
1 |
797 |
195.4 |
-6.7 |
0.394 |
3 |
0 |
0 |
0.192 |
10 |
|
[HEM]B:200 |
20 |
1 |
794 |
◊ |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
24 |
6 |
7165 |
187.8 |
-6.5 |
0.429 |
3 |
0 |
0 |
0.192 |
Average: |
191.6 |
-6.6 |
0.411 |
3 |
0 |
0 |
0.192 |
9 |
11 |
|
C |
25 |
8 |
7165 |
x |
C |
x-1/2,-y-1/2,-z |
4_445 |
22 |
10 |
7165 |
175.0 |
1.0 |
0.648 |
2 |
0 |
0 |
0.000 |
10 |
12 |
|
B |
20 |
9 |
7219 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
18 |
7 |
7139 |
151.6 |
-1.0 |
0.368 |
2 |
0 |
0 |
0.016 |
11 |
13 |
|
[HEM]A:200 |
21 |
1 |
804 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
15 |
6 |
7165 |
142.6 |
-4.2 |
0.373 |
0 |
0 |
0 |
0.035 |
12 |
14 |
|
[HEM]B:200 |
22 |
1 |
794 |
◊ |
[HEM]C:200 |
-x+1/2,-y-1,z-1/2 |
2_544 |
18 |
1 |
797 |
120.1 |
-4.4 |
0.999 |
0 |
0 |
0 |
0.053 |
13 |
15 |
|
[SO4]B:3 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7219 |
70.7 |
-10.3 |
0.689 |
1 |
0 |
0 |
0.129 |
14 |
16 |
|
[SO4]B:1 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
7219 |
70.1 |
-9.3 |
0.812 |
2 |
0 |
0 |
0.123 |
15 |
17 |
|
[SO4]B:4 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
7219 |
69.2 |
-10.0 |
0.695 |
3 |
0 |
0 |
0.137 |
16 |
18 |
|
[GOL]A:5 |
4 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
7139 |
58.9 |
0.5 |
0.507 |
1 |
0 |
0 |
0.000 |
17 |
19 |
|
[SO4]A:2 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7139 |
53.0 |
-6.3 |
0.762 |
0 |
0 |
0 |
0.055 |
18 |
20 |
|
[SO4]B:4 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
7139 |
39.6 |
-3.9 |
0.894 |
1 |
0 |
0 |
0.037 |
19 |
21 |
|
B |
3 |
1 |
7219 |
x |
B |
x-1/2,-y-1/2,-z-1 |
4_444 |
4 |
2 |
7219 |
35.1 |
1.0 |
0.589 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
[SO4]B:3 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
2 |
1 |
7139 |
28.9 |
-3.1 |
0.678 |
0 |
0 |
0 |
0.027 |
21 |
23 |
|
[SO4]A:2 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
7165 |
28.1 |
-2.9 |
0.919 |
1 |
0 |
0 |
0.029 |
22 |
24 |
|
[GOL]A:5 |
3 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
7219 |
21.5 |
0.2 |
0.599 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
B |
4 |
2 |
7219 |
◊ |
[HEM]A:200 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
804 |
19.6 |
-0.1 |
0.682 |
0 |
0 |
0 |
0.001 |
24 |
26 |
|
[HEM]B:200 |
1 |
1 |
794 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
7139 |
14.8 |
-0.5 |
0.306 |
0 |
0 |
0 |
0.004 |
25 |
27 |
|
[HEM]A:200 |
1 |
1 |
804 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
7165 |
2.6 |
-0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
26 |
28 |
|
A |
1 |
1 |
7139 |
◊ |
[HEM]C:200 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
797 |
2.0 |
-0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
|