## |
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 |
|
L |
188 |
56 |
11009 |
◊ |
H |
x,y,z |
1_555 |
180 |
53 |
11177 |
1692.7 |
-25.6 |
0.038 |
14 |
1 |
0 |
1.000 |
2 |
|
B |
186 |
54 |
11071 |
◊ |
A |
x,y,z |
1_555 |
177 |
53 |
11102 |
1663.0 |
-26.1 |
0.025 |
12 |
0 |
0 |
1.000 |
Average: |
1677.9 |
-25.9 |
0.032 |
13 |
1 |
0 |
1.000 |
2 |
3 |
|
L |
90 |
29 |
11009 |
◊ |
B |
x,y,z |
1_555 |
92 |
30 |
11071 |
884.0 |
-6.4 |
0.338 |
5 |
0 |
0 |
0.011 |
3 |
4 |
|
H |
32 |
10 |
11177 |
◊ |
H |
-x-1/2,y,-z |
7_455 |
32 |
10 |
11177 |
281.1 |
-2.3 |
0.492 |
3 |
0 |
0 |
0.000 |
5 |
|
A |
32 |
10 |
11102 |
◊ |
A |
x,-y,-z+1/2 |
8_555 |
32 |
10 |
11102 |
278.1 |
-2.6 |
0.458 |
3 |
0 |
0 |
0.000 |
Average: |
279.6 |
-2.4 |
0.475 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
L |
25 |
9 |
11009 |
◊ |
H |
-x,-y-1/2,z |
6_545 |
23 |
9 |
11177 |
217.8 |
-0.9 |
0.535 |
3 |
0 |
0 |
0.000 |
7 |
|
B |
24 |
11 |
11071 |
◊ |
A |
-x-1,-y+1/2,z |
6_455 |
21 |
9 |
11102 |
207.0 |
-0.9 |
0.497 |
3 |
0 |
0 |
0.000 |
Average: |
212.4 |
-0.9 |
0.516 |
3 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
27 |
6 |
11071 |
◊ |
A |
x,-y,-z+1/2 |
8_555 |
21 |
5 |
11102 |
207.6 |
-1.3 |
0.507 |
2 |
0 |
0 |
0.000 |
9 |
|
L |
25 |
6 |
11009 |
◊ |
H |
-x-1/2,y,-z |
7_455 |
22 |
5 |
11177 |
203.9 |
-1.5 |
0.491 |
2 |
0 |
0 |
0.000 |
Average: |
205.8 |
-1.4 |
0.499 |
2 |
0 |
0 |
0.000 |
6 |
10 |
|
B |
16 |
6 |
11071 |
◊ |
H |
x,y,z |
1_555 |
21 |
5 |
11177 |
189.3 |
-0.6 |
0.534 |
4 |
1 |
0 |
0.005 |
11 |
|
L |
15 |
6 |
11009 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
11102 |
172.0 |
-1.1 |
0.353 |
1 |
0 |
0 |
0.005 |
Average: |
180.6 |
-0.8 |
0.444 |
3 |
1 |
0 |
0.005 |
7 |
12 |
|
B |
17 |
9 |
11071 |
◊ |
H |
-x,-y+1/2,z |
6_555 |
28 |
10 |
11177 |
179.8 |
-1.1 |
0.456 |
2 |
0 |
0 |
0.000 |
13 |
|
L |
6 |
5 |
11009 |
◊ |
A |
-x,-y+1/2,z |
6_555 |
9 |
5 |
11102 |
55.4 |
-0.0 |
0.531 |
0 |
0 |
0 |
0.000 |
Average: |
117.6 |
-0.5 |
0.493 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
A |
17 |
5 |
11102 |
◊ |
A |
-x,-y+1/2,z |
6_555 |
17 |
5 |
11102 |
153.3 |
-0.5 |
0.665 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
H |
15 |
6 |
11177 |
◊ |
H |
-x,-y+1/2,z |
6_555 |
15 |
6 |
11177 |
131.8 |
0.5 |
0.785 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
A |
14 |
4 |
11102 |
◊ |
A |
-x-1,-y+1/2,z |
6_455 |
14 |
4 |
11102 |
110.7 |
-0.3 |
0.692 |
7 |
0 |
0 |
0.000 |
17 |
|
H |
19 |
7 |
11177 |
◊ |
H |
-x,-y-1/2,z |
6_545 |
18 |
6 |
11177 |
110.6 |
-0.2 |
0.734 |
7 |
0 |
0 |
0.000 |
Average: |
110.7 |
-0.2 |
0.713 |
7 |
0 |
0 |
0.000 |
11 |
18 |
|
[EDO]B:301 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11071 |
87.1 |
2.2 |
0.862 |
4 |
0 |
0 |
0.000 |
12 |
19 |
|
[MRY]A:301 |
8 |
1 |
254 |
◊ |
[MRY]A:301 |
-x-1,-y+1/2,z |
6_455 |
8 |
1 |
254 |
86.4 |
0.1 |
0.526 |
0 |
0 |
0 |
0.000 |
20 |
|
[MRY]H:301 |
8 |
1 |
256 |
◊ |
[MRY]H:301 |
-x,-y-1/2,z |
6_545 |
8 |
1 |
256 |
85.9 |
0.5 |
0.560 |
0 |
0 |
0 |
0.000 |
Average: |
86.1 |
0.3 |
0.543 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
[MRY]A:301 |
7 |
1 |
254 |
f |
A |
-x-1,-y+1/2,z |
6_455 |
22 |
7 |
11102 |
81.9 |
-0.6 |
0.559 |
4 |
0 |
0 |
0.133 |
22 |
|
[MRY]H:301 |
8 |
1 |
256 |
f |
H |
x,y,z |
1_555 |
20 |
7 |
11177 |
80.7 |
-0.2 |
0.613 |
5 |
0 |
0 |
0.133 |
Average: |
81.3 |
-0.4 |
0.586 |
5 |
0 |
0 |
0.133 |
14 |
23 |
|
[MRY]H:301 |
6 |
1 |
256 |
◊ |
H |
-x,-y-1/2,z |
6_545 |
21 |
7 |
11177 |
81.5 |
-0.6 |
0.507 |
3 |
0 |
0 |
0.000 |
24 |
|
[MRY]A:301 |
7 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
11102 |
80.7 |
-0.2 |
0.643 |
1 |
0 |
0 |
0.000 |
Average: |
81.1 |
-0.4 |
0.575 |
2 |
0 |
0 |
0.000 |
15 |
25 |
|
[EDO]H:302 |
4 |
1 |
186 |
◊ |
H |
-x-1/2,y,-z |
7_455 |
14 |
5 |
11177 |
72.2 |
2.0 |
0.303 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
[EDO]A:302 |
4 |
1 |
185 |
◊ |
A |
x,-y,-z+1/2 |
8_555 |
13 |
4 |
11102 |
70.5 |
2.0 |
0.303 |
1 |
0 |
0 |
0.000 |
17 |
27 |
|
[EDO]A:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11102 |
63.6 |
1.5 |
0.718 |
1 |
0 |
0 |
0.000 |
18 |
28 |
|
[EDO]H:302 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
11177 |
63.3 |
1.5 |
0.255 |
2 |
0 |
0 |
0.000 |
19 |
29 |
|
[EDO]B:301 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
11102 |
38.9 |
1.2 |
0.884 |
1 |
0 |
0 |
0.000 |
20 |
30 |
|
[EDO]A:302 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
11071 |
30.2 |
1.0 |
0.849 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[EDO]H:302 |
2 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
11009 |
29.3 |
0.9 |
0.867 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
L |
5 |
3 |
11009 |
◊ |
B |
-x,-y+1/2,z |
6_555 |
6 |
3 |
11071 |
20.1 |
-0.5 |
0.422 |
0 |
0 |
0 |
0.000 |
|