## |
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]B:201 |
43 |
1 |
801 |
f |
B |
x,y,z |
1_555 |
69 |
22 |
7356 |
564.8 |
-19.0 |
0.365 |
1 |
0 |
0 |
0.052 |
2 |
|
[HEM]A:201 |
43 |
1 |
803 |
f |
A |
x,y,z |
1_555 |
75 |
24 |
7404 |
564.0 |
-19.3 |
0.389 |
1 |
0 |
0 |
0.052 |
Average: |
564.4 |
-19.2 |
0.377 |
1 |
0 |
0 |
0.052 |
2 |
3 |
|
B |
50 |
14 |
7356 |
◊ |
A |
x,y,z |
1_555 |
56 |
15 |
7404 |
456.5 |
2.0 |
0.831 |
2 |
4 |
0 |
0.000 |
3 |
4 |
|
A |
28 |
8 |
7404 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
38 |
13 |
7356 |
305.5 |
-2.7 |
0.383 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
36 |
12 |
7404 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
28 |
8 |
7356 |
281.3 |
-2.7 |
0.374 |
2 |
0 |
0 |
0.000 |
Average: |
293.4 |
-2.7 |
0.378 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
28 |
7 |
7356 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
27 |
7 |
7404 |
255.9 |
-2.3 |
0.387 |
5 |
7 |
0 |
0.000 |
5 |
7 |
|
A |
22 |
5 |
7404 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
23 |
7 |
7404 |
194.6 |
-1.7 |
0.439 |
2 |
0 |
0 |
0.000 |
8 |
|
B |
17 |
6 |
7356 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
20 |
5 |
7356 |
175.4 |
-1.0 |
0.488 |
2 |
0 |
0 |
0.000 |
Average: |
185.0 |
-1.4 |
0.464 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
19 |
8 |
7356 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
18 |
7 |
7404 |
191.8 |
-1.8 |
0.335 |
2 |
0 |
0 |
0.000 |
10 |
|
B |
16 |
5 |
7356 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
19 |
8 |
7404 |
176.8 |
-1.2 |
0.420 |
2 |
0 |
0 |
0.000 |
Average: |
184.3 |
-1.5 |
0.378 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
[PCR]A:202 |
8 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
7404 |
142.6 |
-2.5 |
0.567 |
1 |
0 |
0 |
0.008 |
8 |
12 |
|
[PCR]B:202 |
8 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
7356 |
138.9 |
-3.3 |
0.411 |
2 |
0 |
0 |
0.011 |
9 |
13 |
|
B |
13 |
3 |
7356 |
x |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
13 |
6 |
7356 |
123.7 |
-0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
14 |
|
A |
8 |
6 |
7404 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
2 |
7404 |
67.7 |
0.6 |
0.755 |
0 |
0 |
0 |
0.000 |
Average: |
95.7 |
0.3 |
0.685 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
B |
13 |
4 |
7356 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
3 |
7404 |
114.8 |
0.8 |
0.681 |
2 |
3 |
0 |
0.000 |
11 |
16 |
|
[EDO]B:203 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
7356 |
107.3 |
3.4 |
0.484 |
4 |
0 |
0 |
0.000 |
12 |
17 |
|
[PCR]B:202 |
6 |
1 |
264 |
f |
[HEM]B:201 |
x,y,z |
1_555 |
28 |
1 |
801 |
83.2 |
-3.4 |
0.915 |
1 |
0 |
0 |
0.010 |
13 |
18 |
|
[PCR]A:202 |
6 |
1 |
263 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
25 |
1 |
803 |
82.9 |
-3.5 |
0.918 |
1 |
0 |
0 |
0.011 |
14 |
19 |
|
[SO4]A:203 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7404 |
72.0 |
-11.2 |
0.669 |
2 |
0 |
0 |
0.032 |
15 |
20 |
|
[SO4]A:204 |
5 |
1 |
183 |
f |
B |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
7 |
7356 |
71.1 |
-11.1 |
0.667 |
2 |
0 |
0 |
0.030 |
16 |
21 |
|
[SO4]A:203 |
5 |
1 |
183 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
5 |
7356 |
68.5 |
-10.2 |
0.676 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[SO4]A:204 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
7404 |
65.6 |
-9.4 |
0.798 |
2 |
0 |
0 |
0.000 |
18 |
23 |
|
A |
5 |
2 |
7404 |
f |
[EDO]B:203 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
183 |
32.3 |
0.9 |
0.526 |
0 |
0 |
0 |
0.000 |
|