| ## |
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 |
62 |
16 |
6945 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
60 |
15 |
7137 |
610.5 |
-14.3 |
0.049 |
3 |
0 |
0 |
0.161 |
| 2 |
2 |
|
[HEM]A:201 |
43 |
1 |
825 |
f |
A |
x,y,z |
1_555 |
75 |
24 |
7137 |
570.5 |
-20.6 |
0.432 |
2 |
0 |
0 |
0.432 |
3 |
|
[HEM]B:201 |
43 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
72 |
24 |
6945 |
565.6 |
-20.0 |
0.459 |
1 |
0 |
0 |
0.432 |
| Average: |
568.0 |
-20.3 |
0.445 |
2 |
0 |
0 |
0.432 |
| 3 |
4 |
|
B |
54 |
19 |
6945 |
◊ |
A |
x,y,z |
1_555 |
57 |
20 |
7137 |
510.9 |
-7.6 |
0.258 |
1 |
0 |
0 |
0.000 |
5 |
|
A |
51 |
17 |
7137 |
◊ |
B |
x,y,z-1 |
1_554 |
53 |
18 |
6945 |
493.3 |
-6.5 |
0.278 |
2 |
0 |
0 |
0.000 |
| Average: |
502.1 |
-7.0 |
0.268 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
A |
29 |
9 |
7137 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
29 |
9 |
7137 |
256.4 |
1.2 |
0.874 |
8 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
21 |
9 |
6945 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
21 |
9 |
6945 |
182.8 |
-1.9 |
0.535 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
6945 |
94.3 |
-14.9 |
0.851 |
5 |
0 |
0 |
0.177 |
| 7 |
9 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
7137 |
92.6 |
-14.5 |
0.852 |
6 |
0 |
0 |
0.177 |
| 8 |
10 |
|
A |
15 |
7 |
7137 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
3_546 |
13 |
6 |
6945 |
85.5 |
0.2 |
0.755 |
1 |
3 |
0 |
0.000 |
| 9 |
11 |
|
B |
6 |
2 |
6945 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
9 |
3 |
7137 |
53.6 |
0.3 |
0.761 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
B |
5 |
2 |
6945 |
◊ |
[HEM]A:201 |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
1 |
825 |
51.2 |
-2.8 |
0.360 |
0 |
0 |
0 |
0.053 |
13 |
|
[HEM]B:201 |
5 |
1 |
822 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
7137 |
49.3 |
-2.3 |
0.481 |
0 |
0 |
0 |
0.053 |
| Average: |
50.3 |
-2.6 |
0.420 |
0 |
0 |
0 |
0.053 |
| 11 |
14 |
|
[HEM]A:201 |
4 |
1 |
825 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
3 |
6945 |
34.7 |
-0.7 |
0.700 |
0 |
0 |
0 |
0.000 |
15 |
|
[HEM]B:201 |
4 |
1 |
822 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7137 |
33.1 |
-0.6 |
0.729 |
0 |
0 |
0 |
0.000 |
| Average: |
33.9 |
-0.6 |
0.714 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
A |
6 |
2 |
7137 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
2 |
7137 |
34.4 |
-0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
17 |
|
B |
4 |
2 |
6945 |
x |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
6 |
2 |
6945 |
29.8 |
-0.1 |
0.616 |
0 |
0 |
0 |
0.000 |
| Average: |
32.1 |
-0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
A |
3 |
2 |
7137 |
◊ |
A |
-x+1,-y,z |
2_655 |
3 |
2 |
7137 |
16.9 |
0.8 |
0.879 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[SO4]A:202 |
3 |
1 |
185 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
6945 |
15.4 |
-1.5 |
0.892 |
0 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[SO4]B:202 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
7137 |
13.1 |
-1.2 |
0.918 |
0 |
0 |
0 |
0.000 |
|