| ## |
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 |
|
[HEM]A:139 |
43 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
75 |
23 |
7487 |
584.1 |
-19.5 |
0.337 |
2 |
0 |
0 |
0.537 |
2 |
|
[HEM]B:139 |
43 |
1 |
810 |
f |
B |
x,y,z |
1_555 |
75 |
22 |
7492 |
571.3 |
-21.0 |
0.148 |
2 |
0 |
0 |
0.537 |
| Average: |
577.7 |
-20.3 |
0.242 |
2 |
0 |
0 |
0.537 |
| 2 |
3 |
|
B |
57 |
15 |
7492 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
49 |
13 |
7487 |
466.8 |
3.1 |
0.836 |
1 |
7 |
0 |
0.000 |
| 3 |
4 |
|
B |
35 |
10 |
7492 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
7487 |
328.3 |
-2.3 |
0.377 |
2 |
0 |
0 |
0.040 |
| 4 |
5 |
|
B |
44 |
14 |
7492 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
32 |
10 |
7487 |
306.2 |
-1.8 |
0.431 |
2 |
0 |
0 |
0.034 |
| 5 |
6 |
|
B |
32 |
13 |
7492 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
32 |
10 |
7487 |
291.9 |
2.1 |
0.795 |
0 |
2 |
0 |
0.000 |
| 6 |
7 |
|
A |
19 |
5 |
7487 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
7 |
7492 |
210.7 |
-2.5 |
0.256 |
3 |
2 |
0 |
0.000 |
| 7 |
8 |
|
B |
24 |
5 |
7492 |
x |
B |
-x,y-1/2,-z-3/2 |
3_543 |
23 |
6 |
7492 |
205.5 |
-1.1 |
0.439 |
5 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
18 |
6 |
7492 |
◊ |
A |
x,y,z-1 |
1_554 |
24 |
8 |
7487 |
203.9 |
-1.5 |
0.373 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
B |
21 |
9 |
7492 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
14 |
4 |
7487 |
159.2 |
-1.0 |
0.409 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
A |
13 |
5 |
7487 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
6 |
7487 |
154.0 |
-0.4 |
0.552 |
1 |
2 |
0 |
0.000 |
| 11 |
12 |
|
[BML]A:191 |
8 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
7487 |
148.7 |
2.2 |
0.249 |
1 |
0 |
0 |
0.000 |
13 |
|
[BML]B:192 |
8 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
7492 |
147.2 |
2.0 |
0.219 |
0 |
0 |
0 |
0.000 |
| Average: |
148.0 |
2.1 |
0.234 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
A |
12 |
4 |
7487 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
5 |
7487 |
116.6 |
-1.3 |
0.340 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[BML]A:191 |
6 |
1 |
269 |
f |
[HEM]A:139 |
x,y,z |
1_555 |
27 |
1 |
818 |
85.4 |
-0.6 |
0.262 |
1 |
0 |
0 |
0.024 |
16 |
|
[BML]B:192 |
6 |
1 |
270 |
f |
[HEM]B:139 |
x,y,z |
1_555 |
29 |
1 |
810 |
85.0 |
-0.4 |
0.262 |
1 |
0 |
0 |
0.024 |
| Average: |
85.2 |
-0.5 |
0.262 |
1 |
0 |
0 |
0.024 |
| 14 |
17 |
|
[SO4]A:197 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
7487 |
75.6 |
-11.5 |
0.634 |
3 |
0 |
0 |
0.163 |
| 15 |
18 |
|
[SO4]B:195 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7492 |
73.2 |
-11.3 |
0.619 |
2 |
0 |
0 |
0.155 |
| 16 |
19 |
|
[SO4]B:195 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
7487 |
73.2 |
-10.5 |
0.720 |
1 |
0 |
0 |
0.138 |
| 17 |
20 |
|
B |
9 |
4 |
7492 |
◊ |
[SO4]A:197 |
x-1/2,-y-1/2,-z-1 |
4_444 |
5 |
1 |
185 |
72.7 |
-9.2 |
0.882 |
3 |
0 |
0 |
0.134 |
| 18 |
21 |
|
B |
7 |
3 |
7492 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
3 |
7492 |
38.9 |
0.3 |
0.559 |
0 |
0 |
0 |
0.000 |
|