## |
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 |
638 |
156 |
33554 |
◊ |
A |
x,y,z |
1_555 |
632 |
157 |
33752 |
5756.9 |
-33.3 |
0.392 |
100 |
45 |
0 |
0.515 |
2 |
|
C |
639 |
155 |
33668 |
◊ |
B |
x,y,z |
1_555 |
630 |
155 |
33697 |
5736.7 |
-33.6 |
0.407 |
94 |
45 |
0 |
0.515 |
Average: |
5746.8 |
-33.5 |
0.400 |
97 |
45 |
0 |
0.515 |
2 |
3 |
|
D |
603 |
139 |
33554 |
◊ |
B |
x,y,z |
1_555 |
604 |
140 |
33697 |
5555.7 |
-58.1 |
0.031 |
73 |
3 |
0 |
0.554 |
4 |
|
C |
610 |
139 |
33668 |
◊ |
A |
x,y,z |
1_555 |
598 |
139 |
33752 |
5527.5 |
-58.3 |
0.022 |
75 |
0 |
0 |
0.554 |
Average: |
5541.6 |
-58.2 |
0.027 |
74 |
2 |
0 |
0.554 |
3 |
5 |
|
B |
232 |
66 |
33697 |
◊ |
A |
x,y,z |
1_555 |
231 |
65 |
33752 |
2020.3 |
-11.8 |
0.473 |
36 |
6 |
0 |
0.283 |
6 |
|
D |
226 |
65 |
33554 |
◊ |
C |
x,y,z |
1_555 |
229 |
64 |
33668 |
2006.5 |
-11.6 |
0.454 |
37 |
8 |
0 |
0.283 |
Average: |
2013.4 |
-11.7 |
0.464 |
37 |
7 |
0 |
0.283 |
4 |
7 |
|
A |
63 |
19 |
33752 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
61 |
19 |
33697 |
535.8 |
-0.9 |
0.697 |
4 |
4 |
0 |
0.000 |
5 |
8 |
|
[HEM]C:802 |
43 |
1 |
826 |
cf |
C |
x,y,z |
1_555 |
96 |
28 |
33668 |
386.1 |
-11.7 |
0.675 |
5 |
0 |
0 |
0.270 |
9 |
|
[HEM]B:802 |
43 |
1 |
829 |
cf |
B |
x,y,z |
1_555 |
98 |
29 |
33697 |
384.3 |
-11.9 |
0.671 |
5 |
0 |
0 |
0.270 |
10 |
|
[HEM]D:802 |
43 |
1 |
831 |
cf |
D |
x,y,z |
1_555 |
97 |
29 |
33554 |
384.2 |
-11.7 |
0.686 |
5 |
0 |
0 |
0.270 |
11 |
|
[HEM]A:802 |
43 |
1 |
827 |
cf |
A |
x,y,z |
1_555 |
94 |
29 |
33752 |
378.6 |
-11.4 |
0.672 |
5 |
0 |
0 |
0.270 |
Average: |
383.3 |
-11.7 |
0.676 |
5 |
0 |
0 |
0.270 |
6 |
12 |
|
[HDD]A:801 |
42 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
94 |
29 |
33752 |
381.0 |
-9.9 |
0.682 |
5 |
0 |
0 |
0.240 |
13 |
|
[HDD]D:801 |
42 |
1 |
819 |
f |
D |
x,y,z |
1_555 |
98 |
29 |
33554 |
378.8 |
-9.9 |
0.678 |
5 |
0 |
0 |
0.240 |
14 |
|
[HDD]C:801 |
42 |
1 |
808 |
f |
C |
x,y,z |
1_555 |
98 |
30 |
33668 |
377.4 |
-9.6 |
0.684 |
6 |
0 |
0 |
0.240 |
15 |
|
[HDD]B:801 |
42 |
1 |
810 |
f |
B |
x,y,z |
1_555 |
98 |
29 |
33697 |
374.4 |
-9.9 |
0.686 |
6 |
0 |
0 |
0.240 |
Average: |
377.9 |
-9.8 |
0.683 |
6 |
0 |
0 |
0.240 |
7 |
16 |
|
[HEM]D:802 |
43 |
1 |
831 |
f |
[HDD]D:801 |
x,y,z |
1_555 |
41 |
1 |
819 |
254.2 |
-10.9 |
0.993 |
0 |
0 |
0 |
0.212 |
17 |
|
[HEM]A:802 |
43 |
1 |
827 |
f |
[HDD]A:801 |
x,y,z |
1_555 |
41 |
1 |
814 |
253.9 |
-10.9 |
0.996 |
0 |
0 |
0 |
0.212 |
18 |
|
[HEM]B:802 |
43 |
1 |
829 |
f |
[HDD]B:801 |
x,y,z |
1_555 |
41 |
1 |
810 |
252.2 |
-10.8 |
0.992 |
0 |
0 |
0 |
0.212 |
19 |
|
[HEM]C:802 |
42 |
1 |
826 |
f |
[HDD]C:801 |
x,y,z |
1_555 |
42 |
1 |
808 |
250.6 |
-11.0 |
0.993 |
0 |
0 |
0 |
0.212 |
Average: |
252.7 |
-10.9 |
0.994 |
0 |
0 |
0 |
0.212 |
8 |
20 |
|
A |
34 |
8 |
33752 |
◊ |
D |
x-1,y,z |
1_455 |
31 |
10 |
33554 |
240.8 |
-1.2 |
0.575 |
0 |
0 |
0 |
0.000 |
9 |
21 |
|
C |
23 |
6 |
33668 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
22 |
10 |
33697 |
232.8 |
-0.3 |
0.440 |
2 |
1 |
0 |
0.000 |
10 |
22 |
|
C |
23 |
10 |
33668 |
◊ |
A |
x,y,z-1 |
1_554 |
18 |
8 |
33752 |
226.6 |
-0.9 |
0.525 |
0 |
1 |
0 |
0.000 |
11 |
23 |
|
A |
27 |
10 |
33752 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
9 |
33554 |
190.3 |
-0.0 |
0.698 |
2 |
2 |
0 |
0.000 |
12 |
24 |
|
C |
12 |
4 |
33668 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
10 |
4 |
33554 |
110.5 |
2.4 |
0.878 |
1 |
0 |
0 |
0.000 |
13 |
25 |
|
[HEM]B:802 |
8 |
1 |
829 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
33668 |
57.9 |
-1.6 |
0.469 |
0 |
0 |
0 |
0.019 |
26 |
|
[HEM]D:802 |
8 |
1 |
831 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
33752 |
54.3 |
-1.5 |
0.492 |
0 |
0 |
0 |
0.019 |
27 |
|
[HEM]C:802 |
8 |
1 |
826 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
33697 |
53.7 |
-1.5 |
0.513 |
0 |
0 |
0 |
0.019 |
28 |
|
[HEM]A:802 |
8 |
1 |
827 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
33554 |
53.6 |
-1.4 |
0.496 |
0 |
0 |
0 |
0.019 |
Average: |
54.8 |
-1.5 |
0.493 |
0 |
0 |
0 |
0.019 |
14 |
29 |
|
[HDD]D:801 |
7 |
1 |
819 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
33752 |
56.7 |
-1.5 |
0.453 |
0 |
0 |
0 |
0.018 |
30 |
|
[HDD]A:801 |
7 |
1 |
814 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
33554 |
55.6 |
-1.5 |
0.469 |
0 |
0 |
0 |
0.018 |
31 |
|
[HDD]C:801 |
7 |
1 |
808 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
33697 |
55.3 |
-1.5 |
0.462 |
0 |
0 |
0 |
0.018 |
32 |
|
[HDD]B:801 |
8 |
1 |
810 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
33668 |
54.8 |
-1.5 |
0.483 |
0 |
0 |
0 |
0.018 |
Average: |
55.6 |
-1.5 |
0.467 |
0 |
0 |
0 |
0.018 |
15 |
33 |
|
C |
6 |
3 |
33668 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
6 |
3 |
33554 |
49.2 |
0.6 |
0.785 |
1 |
0 |
0 |
0.000 |
16 |
34 |
|
B |
3 |
1 |
33697 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
2 |
33554 |
27.2 |
0.9 |
0.895 |
0 |
0 |
0 |
0.000 |
17 |
35 |
|
C |
2 |
1 |
33668 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
4 |
1 |
33752 |
27.0 |
1.3 |
0.896 |
1 |
1 |
0 |
0.000 |
18 |
36 |
|
C |
6 |
3 |
33668 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
3 |
33554 |
22.9 |
-0.2 |
0.524 |
0 |
0 |
0 |
0.000 |
19 |
37 |
|
B |
2 |
2 |
33697 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
33668 |
18.9 |
0.6 |
0.866 |
0 |
0 |
0 |
0.000 |
20 |
38 |
|
B |
2 |
2 |
33697 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
2 |
33752 |
15.6 |
0.3 |
0.786 |
0 |
0 |
0 |
0.000 |
21 |
39 |
|
A |
1 |
1 |
33752 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
33668 |
12.9 |
0.6 |
0.925 |
0 |
0 |
0 |
0.000 |
22 |
40 |
|
B |
1 |
1 |
33697 |
◊ |
D |
x-1,y,z-1 |
1_454 |
1 |
1 |
33554 |
3.1 |
0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
|