## |
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 |
|
A |
81 |
28 |
17139 |
◊ |
B |
x-1,y+1,z-1 |
1_464 |
61 |
21 |
17400 |
682.4 |
-5.8 |
0.286 |
8 |
3 |
0 |
0.000 |
2 |
|
A |
54 |
18 |
17139 |
◊ |
B |
x-1,y+1,z |
1_465 |
67 |
24 |
17400 |
571.9 |
-7.8 |
0.076 |
5 |
0 |
0 |
0.000 |
Average: |
627.1 |
-6.8 |
0.181 |
7 |
2 |
0 |
0.000 |
2 |
3 |
|
[HEM]A:801 |
43 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
81 |
34 |
17139 |
581.7 |
-20.9 |
0.220 |
3 |
0 |
0 |
0.060 |
3 |
4 |
|
[HEM]B:501 |
42 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
82 |
34 |
17400 |
573.0 |
-20.9 |
0.201 |
3 |
0 |
0 |
0.059 |
4 |
5 |
|
B |
55 |
11 |
17400 |
◊ |
A |
x,y,z |
1_555 |
56 |
14 |
17139 |
483.4 |
0.9 |
0.775 |
7 |
10 |
0 |
0.000 |
5 |
6 |
|
A |
50 |
17 |
17139 |
◊ |
B |
x-1,y,z-1 |
1_454 |
44 |
15 |
17400 |
390.2 |
1.2 |
0.806 |
6 |
11 |
0 |
0.000 |
7 |
|
A |
39 |
11 |
17139 |
◊ |
B |
x-1,y,z |
1_455 |
32 |
13 |
17400 |
309.9 |
0.9 |
0.779 |
3 |
6 |
0 |
0.000 |
Average: |
350.0 |
1.1 |
0.792 |
5 |
9 |
0 |
0.000 |
6 |
8 |
|
B |
37 |
13 |
17400 |
◊ |
A |
x,y-1,z |
1_545 |
41 |
15 |
17139 |
337.8 |
-0.4 |
0.660 |
6 |
4 |
0 |
0.000 |
7 |
9 |
|
[QRP]A:802 |
21 |
1 |
458 |
f |
A |
x,y,z |
1_555 |
43 |
17 |
17139 |
249.4 |
-4.3 |
0.530 |
2 |
0 |
0 |
0.014 |
10 |
|
[QRP]B:502 |
21 |
1 |
455 |
f |
B |
x,y,z |
1_555 |
46 |
17 |
17400 |
248.3 |
-4.2 |
0.533 |
2 |
0 |
0 |
0.014 |
Average: |
248.9 |
-4.3 |
0.531 |
2 |
0 |
0 |
0.014 |
8 |
11 |
|
A |
32 |
9 |
17139 |
x |
A |
x-1,y,z |
1_455 |
30 |
10 |
17139 |
247.9 |
3.1 |
0.891 |
6 |
7 |
0 |
0.000 |
9 |
12 |
|
[QRP]A:803 |
20 |
1 |
414 |
f |
A |
x,y,z |
1_555 |
30 |
14 |
17139 |
240.1 |
-3.2 |
0.563 |
1 |
0 |
0 |
0.010 |
13 |
|
[QRP]B:503 |
20 |
1 |
417 |
f |
B |
x,y,z |
1_555 |
29 |
14 |
17400 |
239.8 |
-3.4 |
0.507 |
1 |
0 |
0 |
0.010 |
Average: |
239.9 |
-3.3 |
0.535 |
1 |
0 |
0 |
0.010 |
10 |
14 |
|
A |
28 |
8 |
17139 |
◊ |
B |
x,y,z-1 |
1_554 |
33 |
9 |
17400 |
232.8 |
0.5 |
0.729 |
3 |
3 |
0 |
0.000 |
11 |
15 |
|
B |
29 |
11 |
17400 |
x |
B |
x-1,y,z |
1_455 |
22 |
7 |
17400 |
218.1 |
0.2 |
0.668 |
3 |
0 |
0 |
0.000 |
12 |
16 |
|
B |
14 |
5 |
17400 |
◊ |
A |
x,y-1,z+1 |
1_546 |
12 |
4 |
17139 |
129.3 |
0.8 |
0.771 |
1 |
6 |
0 |
0.000 |
13 |
17 |
|
[EDO]B:505 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
17400 |
115.3 |
3.1 |
0.563 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[QRP]B:503 |
8 |
1 |
417 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
17 |
1 |
819 |
81.8 |
-2.7 |
0.930 |
0 |
0 |
0 |
0.007 |
15 |
19 |
|
[EDO]A:806 |
4 |
1 |
183 |
◊ |
B |
x-1,y,z-1 |
1_454 |
14 |
6 |
17400 |
81.6 |
1.8 |
0.212 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[QRP]A:803 |
8 |
1 |
414 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
16 |
1 |
819 |
81.1 |
-2.7 |
0.933 |
0 |
0 |
0 |
0.007 |
17 |
21 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
17400 |
79.3 |
1.6 |
0.396 |
4 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]A:804 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
17139 |
77.9 |
1.9 |
0.221 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]A:806 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
17139 |
77.3 |
1.5 |
0.755 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[QRP]A:802 |
11 |
1 |
458 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
18 |
1 |
819 |
75.9 |
-2.6 |
0.920 |
0 |
0 |
0 |
0.007 |
21 |
25 |
|
[QRP]B:502 |
11 |
1 |
455 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
17 |
1 |
819 |
75.7 |
-2.7 |
0.912 |
0 |
0 |
0 |
0.007 |
22 |
26 |
|
[QRP]B:503 |
12 |
1 |
417 |
f |
[QRP]B:502 |
x,y,z |
1_555 |
11 |
1 |
455 |
73.7 |
-1.6 |
0.899 |
0 |
0 |
0 |
0.004 |
27 |
|
[QRP]A:803 |
12 |
1 |
414 |
f |
[QRP]A:802 |
x,y,z |
1_555 |
11 |
1 |
458 |
73.6 |
-1.6 |
0.901 |
0 |
0 |
0 |
0.004 |
Average: |
73.7 |
-1.6 |
0.900 |
0 |
0 |
0 |
0.004 |
23 |
28 |
|
A |
14 |
5 |
17139 |
◊ |
[EDO]B:504 |
x-1,y+1,z-1 |
1_464 |
4 |
1 |
184 |
68.7 |
1.7 |
0.255 |
1 |
0 |
0 |
0.000 |
24 |
29 |
|
[EDO]A:805 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
17139 |
63.7 |
1.8 |
0.253 |
1 |
0 |
0 |
0.000 |
25 |
30 |
|
A |
6 |
2 |
17139 |
◊ |
[EDO]A:805 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
55.5 |
2.0 |
0.292 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[EDO]A:804 |
3 |
1 |
185 |
f |
B |
x-1,y+1,z |
1_465 |
5 |
3 |
17400 |
32.5 |
0.3 |
0.735 |
1 |
0 |
0 |
0.000 |
27 |
32 |
|
[EDO]A:804 |
2 |
1 |
185 |
f |
[EDO]A:805 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
15.2 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
A |
2 |
1 |
17139 |
f |
[EDO]B:505 |
x-1,y+1,z-1 |
1_464 |
2 |
1 |
185 |
10.7 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
B |
1 |
1 |
17400 |
f |
[EDO]A:805 |
x,y-1,z |
1_545 |
2 |
1 |
183 |
7.9 |
0.2 |
0.931 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
A |
2 |
1 |
17139 |
x |
A |
x,y,z-1 |
1_554 |
2 |
1 |
17139 |
1.1 |
0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
|