| ## |
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 |
105 |
26 |
20373 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
108 |
26 |
20288 |
889.8 |
0.9 |
0.786 |
12 |
0 |
0 |
0.000 |
| 2 |
2 |
|
[HEM]A:502 |
43 |
1 |
826 |
f |
A |
x,y,z |
1_555 |
95 |
36 |
20288 |
610.2 |
-19.8 |
0.531 |
3 |
0 |
0 |
0.122 |
3 |
|
[HEM]B:502 |
43 |
1 |
839 |
f |
B |
x,y,z |
1_555 |
98 |
37 |
20373 |
608.3 |
-19.7 |
0.555 |
3 |
0 |
0 |
0.122 |
| Average: |
609.3 |
-19.7 |
0.543 |
3 |
0 |
0 |
0.122 |
| 3 |
4 |
|
A |
78 |
23 |
20288 |
◊ |
B |
x-1,y,z |
1_455 |
62 |
16 |
20373 |
564.1 |
-2.8 |
0.488 |
4 |
2 |
0 |
0.000 |
| 4 |
5 |
|
B |
54 |
20 |
20373 |
x |
B |
x-1/2,-y-1/2,-z+2 |
4_447 |
49 |
13 |
20373 |
384.7 |
0.7 |
0.717 |
0 |
4 |
0 |
0.000 |
| 5 |
6 |
|
B |
32 |
11 |
20373 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
20288 |
308.5 |
0.2 |
0.682 |
4 |
3 |
0 |
0.000 |
| 6 |
7 |
|
[TPF]B:501 |
20 |
1 |
473 |
f |
B |
x,y,z |
1_555 |
45 |
17 |
20373 |
298.5 |
4.4 |
0.175 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
32 |
11 |
20288 |
◊ |
B |
x-1/2,-y-1/2,-z+2 |
4_447 |
31 |
8 |
20373 |
296.1 |
-3.5 |
0.215 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[TPF]A:501 |
21 |
1 |
446 |
f |
A |
x,y,z |
1_555 |
38 |
17 |
20288 |
285.3 |
3.8 |
0.088 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
A |
39 |
16 |
20288 |
x |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
29 |
12 |
20288 |
251.3 |
-0.0 |
0.602 |
4 |
1 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]A:509 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
20288 |
110.6 |
3.8 |
0.538 |
6 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]B:508 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
20373 |
109.0 |
3.6 |
0.500 |
3 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]A:510 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
20288 |
107.8 |
3.2 |
0.481 |
3 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]B:504 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
20373 |
107.6 |
2.9 |
0.451 |
2 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]B:506 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
20373 |
107.3 |
2.4 |
0.408 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[PO4]A:504 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
20288 |
104.0 |
-7.2 |
0.611 |
6 |
0 |
0 |
0.025 |
| 16 |
17 |
|
[EDO]B:507 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
20373 |
93.8 |
2.4 |
0.249 |
3 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[HEM]B:502 |
24 |
1 |
839 |
f |
[TPF]B:501 |
x,y,z |
1_555 |
9 |
1 |
473 |
91.4 |
0.9 |
0.460 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[PO4]A:506 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
20288 |
90.9 |
-5.9 |
0.670 |
2 |
0 |
0 |
0.017 |
| 19 |
20 |
|
[PO4]B:503 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
20373 |
90.0 |
-6.0 |
0.676 |
2 |
0 |
0 |
0.040 |
| 20 |
21 |
|
[EDO]A:508 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
20288 |
88.4 |
2.6 |
0.428 |
5 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[PO4]A:503 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
20288 |
82.8 |
-4.7 |
0.798 |
2 |
0 |
0 |
0.014 |
| 22 |
23 |
|
[EDO]A:507 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
20288 |
81.7 |
1.8 |
0.257 |
2 |
0 |
0 |
0.000 |
| 23 |
24 |
|
B |
10 |
5 |
20373 |
x |
B |
x-1,y,z |
1_455 |
10 |
4 |
20373 |
81.0 |
-0.1 |
0.553 |
1 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[HEM]A:502 |
24 |
1 |
826 |
f |
[TPF]A:501 |
x,y,z |
1_555 |
6 |
1 |
446 |
79.1 |
0.7 |
0.648 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
A |
10 |
4 |
20288 |
f |
[PO4]A:505 |
x-1/2,-y+1/2,-z+2 |
4_457 |
5 |
1 |
188 |
66.2 |
-4.1 |
0.586 |
2 |
0 |
0 |
0.013 |
| 26 |
27 |
|
A |
9 |
4 |
20288 |
x |
A |
x-1,y,z |
1_455 |
7 |
3 |
20288 |
64.4 |
0.6 |
0.745 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[PO4]A:505 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
20288 |
57.6 |
-2.3 |
0.907 |
1 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[EDO]A:508 |
3 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
3 |
20373 |
56.8 |
0.7 |
0.530 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[EDO]B:505 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
20373 |
56.5 |
1.5 |
0.804 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[EDO]B:505 |
4 |
1 |
183 |
f |
B |
x-1/2,-y-1/2,-z+2 |
4_447 |
9 |
5 |
20373 |
56.5 |
1.5 |
0.773 |
1 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[EDO]A:507 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
20373 |
43.2 |
1.4 |
0.841 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
B |
7 |
4 |
20373 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
20288 |
42.1 |
1.3 |
0.789 |
1 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[EDO]B:505 |
2 |
1 |
183 |
◊ |
[EDO]B:504 |
x-1/2,-y-1/2,-z+2 |
4_447 |
2 |
1 |
184 |
20.9 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
|