## |
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 |
305 |
77 |
11058 |
◊ |
A |
x,y,z |
1_555 |
303 |
77 |
11014 |
3066.7 |
-48.9 |
0.032 |
30 |
14 |
0 |
0.626 |
2 |
|
D |
297 |
79 |
10963 |
◊ |
C |
x,y,z |
1_555 |
291 |
75 |
10880 |
2942.4 |
-50.7 |
0.090 |
20 |
9 |
0 |
0.626 |
Average: |
3004.5 |
-49.8 |
0.061 |
25 |
12 |
0 |
0.626 |
2 |
3 |
|
D |
76 |
17 |
10963 |
◊ |
B |
x-1,y,z |
1_455 |
73 |
15 |
11058 |
578.8 |
-5.2 |
0.688 |
9 |
0 |
0 |
0.004 |
3 |
4 |
|
C |
36 |
10 |
10880 |
◊ |
A |
x-1,y+1,z |
1_465 |
44 |
15 |
11014 |
384.8 |
-4.2 |
0.462 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
36 |
7 |
10963 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
11014 |
286.7 |
-3.2 |
0.551 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
22 |
8 |
11058 |
◊ |
D |
x,y-1,z+1 |
1_546 |
22 |
7 |
10963 |
208.4 |
-2.6 |
0.478 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
D |
9 |
2 |
10963 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
9 |
11014 |
124.4 |
-0.8 |
0.313 |
1 |
0 |
0 |
0.001 |
8 |
|
C |
13 |
9 |
10880 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
2 |
11058 |
119.8 |
-1.1 |
0.273 |
1 |
0 |
0 |
0.001 |
Average: |
122.1 |
-1.0 |
0.293 |
1 |
0 |
0 |
0.001 |
7 |
9 |
|
B |
13 |
3 |
11058 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
3 |
11014 |
108.2 |
-1.5 |
0.457 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
[EDO]C:301 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
10880 |
100.5 |
3.7 |
0.579 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
D |
12 |
5 |
10963 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
14 |
7 |
11014 |
100.1 |
-1.8 |
0.442 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
[EDO]B:301 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11058 |
92.1 |
2.3 |
0.305 |
3 |
0 |
0 |
0.000 |
11 |
13 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
9 |
11058 |
57.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.067 |
12 |
14 |
|
B |
7 |
1 |
11058 |
x |
B |
x-1,y,z |
1_455 |
8 |
2 |
11058 |
53.6 |
-0.2 |
0.607 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
11014 |
52.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.287 |
16 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
11058 |
51.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.287 |
17 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
10880 |
48.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.287 |
18 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
10963 |
48.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.287 |
19 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
10880 |
47.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.287 |
20 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
10963 |
46.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.287 |
Average: |
49.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.287 |
14 |
21 |
|
D |
8 |
3 |
10963 |
x |
D |
x,y-1,z |
1_545 |
7 |
3 |
10963 |
50.2 |
-0.6 |
0.596 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
11058 |
47.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.141 |
23 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11014 |
47.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.141 |
Average: |
47.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.141 |
16 |
24 |
|
A |
6 |
3 |
11014 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11058 |
38.4 |
-0.7 |
0.125 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
D |
3 |
3 |
10963 |
◊ |
C |
x,y-1,z |
1_545 |
6 |
4 |
10880 |
31.6 |
-0.6 |
0.448 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
11014 |
29.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.030 |
19 |
27 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[MG]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.056 |
20 |
28 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[MG]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.055 |
21 |
29 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.034 |
22 |
30 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.030 |
23 |
31 |
|
D |
2 |
1 |
10963 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
11058 |
15.3 |
-0.4 |
0.418 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
C |
2 |
1 |
10880 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11014 |
2.7 |
-0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
C |
1 |
1 |
10880 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
11058 |
2.7 |
-0.1 |
0.455 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
A |
1 |
1 |
11014 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
11058 |
0.5 |
-0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
|