| ## |
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 |
|
D |
87 |
23 |
7860 |
◊ |
C |
x,y,z |
1_555 |
86 |
24 |
7559 |
837.1 |
-9.2 |
0.390 |
8 |
0 |
0 |
0.189 |
2 |
|
B |
86 |
23 |
7850 |
◊ |
A |
x,y,z |
1_555 |
87 |
24 |
7507 |
834.2 |
-9.4 |
0.350 |
10 |
0 |
0 |
0.189 |
| Average: |
835.7 |
-9.3 |
0.370 |
9 |
0 |
0 |
0.189 |
| 2 |
3 |
|
[HEM]A:200 |
43 |
1 |
808 |
f |
A |
x,y,z |
1_555 |
73 |
29 |
7507 |
575.9 |
-20.0 |
0.419 |
1 |
0 |
0 |
0.285 |
4 |
|
[HEM]C:200 |
43 |
1 |
808 |
f |
C |
x,y,z |
1_555 |
69 |
28 |
7559 |
574.0 |
-19.8 |
0.404 |
1 |
0 |
0 |
0.285 |
| Average: |
574.9 |
-19.9 |
0.412 |
1 |
0 |
0 |
0.285 |
| 3 |
5 |
|
[HEM]B:200 |
43 |
1 |
824 |
f |
B |
x,y,z |
1_555 |
67 |
27 |
7850 |
561.1 |
-18.9 |
0.398 |
0 |
0 |
0 |
0.266 |
6 |
|
[HEM]D:200 |
42 |
1 |
817 |
f |
D |
x,y,z |
1_555 |
66 |
25 |
7860 |
558.9 |
-19.0 |
0.406 |
0 |
0 |
0 |
0.266 |
| Average: |
560.0 |
-19.0 |
0.402 |
0 |
0 |
0 |
0.266 |
| 4 |
7 |
|
B |
61 |
12 |
7850 |
◊ |
C |
x,y,z |
1_555 |
53 |
15 |
7559 |
484.8 |
-3.8 |
0.559 |
5 |
3 |
0 |
0.073 |
8 |
|
D |
59 |
13 |
7860 |
◊ |
A |
x,y,z |
1_555 |
50 |
13 |
7507 |
472.7 |
-3.0 |
0.641 |
4 |
2 |
0 |
0.073 |
| Average: |
478.8 |
-3.4 |
0.600 |
5 |
3 |
0 |
0.073 |
| 5 |
9 |
|
C |
31 |
14 |
7559 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
31 |
11 |
7860 |
313.6 |
-2.5 |
0.533 |
1 |
0 |
0 |
0.000 |
| 6 |
10 |
|
B |
31 |
10 |
7850 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
6 |
7507 |
230.5 |
-1.7 |
0.561 |
3 |
0 |
0 |
0.000 |
11 |
|
C |
26 |
6 |
7559 |
◊ |
D |
x-1,y,z |
1_455 |
32 |
11 |
7860 |
223.7 |
-2.2 |
0.542 |
3 |
0 |
0 |
0.000 |
| Average: |
227.1 |
-2.0 |
0.551 |
3 |
0 |
0 |
0.000 |
| 7 |
12 |
|
C |
26 |
8 |
7559 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
7507 |
201.4 |
-1.0 |
0.685 |
3 |
0 |
0 |
0.014 |
| 8 |
13 |
|
D |
19 |
5 |
7860 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
7850 |
189.8 |
0.2 |
0.680 |
1 |
0 |
0 |
0.002 |
| 9 |
14 |
|
B |
17 |
7 |
7850 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
16 |
6 |
7850 |
159.7 |
-1.5 |
0.466 |
1 |
2 |
0 |
0.000 |
| 10 |
15 |
|
A |
15 |
5 |
7507 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
17 |
6 |
7860 |
154.2 |
0.6 |
0.742 |
1 |
2 |
0 |
0.000 |
| 11 |
16 |
|
B |
10 |
5 |
7850 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
16 |
5 |
7860 |
114.1 |
1.6 |
0.855 |
2 |
2 |
0 |
0.000 |
| 12 |
17 |
|
A |
10 |
5 |
7507 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
10 |
4 |
7507 |
90.4 |
-1.6 |
0.287 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[SO4]C:502 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
7559 |
72.6 |
-9.4 |
0.874 |
1 |
0 |
0 |
0.138 |
| 14 |
19 |
|
[SO4]A:501 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
7507 |
70.6 |
-9.9 |
0.641 |
0 |
0 |
0 |
0.136 |
| 15 |
20 |
|
C |
12 |
5 |
7559 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
7 |
5 |
7507 |
67.0 |
0.0 |
0.690 |
1 |
1 |
0 |
0.000 |
| 16 |
21 |
|
[HEM]A:200 |
9 |
1 |
808 |
f |
[SO4]A:501 |
x,y,z |
1_555 |
5 |
1 |
187 |
64.2 |
-10.0 |
0.982 |
0 |
0 |
0 |
0.137 |
| 17 |
22 |
|
[HEM]C:200 |
9 |
1 |
808 |
f |
[SO4]C:502 |
x,y,z |
1_555 |
5 |
1 |
186 |
61.4 |
-9.5 |
0.989 |
0 |
0 |
0 |
0.133 |
| 18 |
23 |
|
[HEM]B:200 |
5 |
1 |
824 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
4 |
7850 |
58.2 |
-2.8 |
0.425 |
1 |
0 |
0 |
0.000 |
| 19 |
24 |
|
B |
5 |
1 |
7850 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
1 |
7860 |
38.1 |
-0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[SO4]C:502 |
3 |
1 |
186 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
7860 |
19.8 |
-2.0 |
0.896 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
B |
3 |
1 |
7850 |
◊ |
[SO4]A:501 |
x-1,y,z |
1_455 |
2 |
1 |
187 |
17.3 |
-1.8 |
0.882 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[HEM]C:200 |
1 |
1 |
808 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
7860 |
16.2 |
-1.0 |
0.344 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
2 |
1 |
7850 |
◊ |
[HEM]A:200 |
x-1,y,z |
1_455 |
1 |
1 |
808 |
15.9 |
-1.0 |
0.355 |
0 |
0 |
0 |
0.000 |
| Average: |
16.0 |
-1.0 |
0.350 |
0 |
0 |
0 |
0.000 |
|