| ## |
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 |
812 |
f |
A |
x,y,z |
1_555 |
79 |
21 |
7433 |
586.9 |
-20.2 |
0.262 |
1 |
0 |
0 |
0.457 |
2 |
|
[HEM]B:139 |
43 |
1 |
815 |
f |
B |
x,y,z |
1_555 |
84 |
23 |
7515 |
583.6 |
-19.9 |
0.334 |
2 |
0 |
0 |
0.457 |
| Average: |
585.2 |
-20.0 |
0.298 |
2 |
0 |
0 |
0.457 |
| 2 |
3 |
|
B |
60 |
14 |
7515 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
50 |
13 |
7433 |
479.1 |
1.9 |
0.753 |
4 |
5 |
0 |
0.000 |
| 3 |
4 |
|
B |
37 |
9 |
7515 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
7433 |
333.7 |
-2.4 |
0.346 |
3 |
0 |
0 |
0.041 |
| 4 |
5 |
|
B |
32 |
13 |
7515 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
28 |
11 |
7433 |
297.9 |
1.9 |
0.737 |
2 |
3 |
0 |
0.000 |
| 5 |
6 |
|
B |
39 |
13 |
7515 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
27 |
8 |
7433 |
280.5 |
-2.9 |
0.279 |
2 |
0 |
0 |
0.042 |
| 6 |
7 |
|
B |
24 |
6 |
7515 |
x |
B |
-x,y-1/2,-z-3/2 |
3_543 |
25 |
7 |
7515 |
225.4 |
-0.6 |
0.500 |
6 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
22 |
7 |
7515 |
◊ |
A |
x,y,z-1 |
1_554 |
23 |
8 |
7433 |
222.1 |
-2.2 |
0.296 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
A |
22 |
5 |
7433 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
6 |
7515 |
217.8 |
-2.0 |
0.315 |
5 |
5 |
0 |
0.000 |
| 9 |
10 |
|
B |
22 |
9 |
7515 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
20 |
8 |
7433 |
209.7 |
0.9 |
0.671 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
A |
16 |
5 |
7433 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
18 |
5 |
7433 |
159.8 |
1.1 |
0.548 |
3 |
0 |
0 |
0.000 |
| 11 |
12 |
|
A |
14 |
4 |
7433 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
5 |
7433 |
119.4 |
-1.0 |
0.377 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[BML]A:191 |
8 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7433 |
118.3 |
3.5 |
0.396 |
2 |
0 |
0 |
0.000 |
14 |
|
[BML]B:192 |
8 |
1 |
269 |
cf |
B |
x,y,z |
1_555 |
20 |
9 |
7515 |
110.3 |
3.8 |
0.519 |
2 |
0 |
0 |
0.000 |
| Average: |
114.3 |
3.6 |
0.457 |
2 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[SO4]B:197 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
7515 |
100.1 |
-14.2 |
0.890 |
3 |
0 |
0 |
0.172 |
| 14 |
16 |
|
[SO4]A:198 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
7433 |
76.1 |
-11.0 |
0.625 |
3 |
0 |
0 |
0.136 |
| 15 |
17 |
|
[BML]B:192 |
6 |
1 |
269 |
f |
[HEM]B:139 |
x,y,z |
1_555 |
27 |
1 |
815 |
73.5 |
-0.9 |
0.120 |
0 |
0 |
0 |
0.018 |
18 |
|
[BML]A:191 |
6 |
1 |
271 |
f |
[HEM]A:139 |
x,y,z |
1_555 |
24 |
1 |
812 |
66.7 |
-0.8 |
0.104 |
0 |
0 |
0 |
0.018 |
| Average: |
70.1 |
-0.8 |
0.112 |
0 |
0 |
0 |
0.018 |
| 16 |
19 |
|
[SO4]A:196 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
7433 |
73.0 |
-10.8 |
0.714 |
1 |
0 |
0 |
0.122 |
| 17 |
20 |
|
[SO4]A:196 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
7515 |
72.3 |
-10.9 |
0.592 |
2 |
0 |
0 |
0.130 |
| 18 |
21 |
|
B |
13 |
5 |
7515 |
◊ |
[SO4]A:198 |
x-1/2,-y-1/2,-z-1 |
4_444 |
5 |
1 |
184 |
62.5 |
-8.6 |
0.672 |
2 |
0 |
0 |
0.105 |
| 19 |
22 |
|
[SO4]B:197 |
4 |
1 |
187 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
4 |
7433 |
48.7 |
-5.2 |
0.880 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
B |
6 |
2 |
7515 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
2 |
7515 |
43.1 |
0.0 |
0.486 |
0 |
0 |
0 |
0.000 |
|