## |
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 |
308 |
78 |
11185 |
◊ |
A |
x,y,z |
1_555 |
309 |
78 |
11074 |
3015.8 |
-50.5 |
0.041 |
26 |
13 |
0 |
0.639 |
2 |
|
D |
304 |
80 |
11145 |
◊ |
C |
x,y,z |
1_555 |
291 |
73 |
10958 |
2974.3 |
-50.4 |
0.083 |
20 |
6 |
0 |
0.639 |
Average: |
2995.1 |
-50.5 |
0.062 |
23 |
10 |
0 |
0.639 |
2 |
3 |
|
D |
65 |
16 |
11145 |
◊ |
B |
x-1,y,z |
1_455 |
61 |
14 |
11185 |
491.7 |
-4.0 |
0.704 |
6 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
38 |
10 |
10958 |
◊ |
A |
x-1,y+1,z |
1_465 |
44 |
15 |
11074 |
379.8 |
-4.6 |
0.480 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
34 |
7 |
11145 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
11074 |
286.1 |
-3.4 |
0.532 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
21 |
8 |
11185 |
◊ |
D |
x,y-1,z+1 |
1_546 |
24 |
8 |
11145 |
226.3 |
-2.5 |
0.503 |
1 |
2 |
0 |
0.000 |
6 |
7 |
|
[K2S]A:304 |
13 |
1 |
347 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
11185 |
169.0 |
1.3 |
0.250 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
[K2S]C:304 |
12 |
1 |
348 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
11145 |
161.8 |
1.8 |
0.306 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[K2S]A:305 |
12 |
1 |
342 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
11074 |
145.2 |
0.9 |
0.244 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[K2S]C:304 |
10 |
1 |
348 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
10958 |
123.7 |
2.0 |
0.409 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
C |
14 |
9 |
10958 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
2 |
11185 |
121.6 |
-1.1 |
0.251 |
1 |
0 |
0 |
0.000 |
12 |
|
D |
9 |
2 |
11145 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
9 |
11074 |
120.4 |
-0.9 |
0.311 |
1 |
0 |
0 |
0.000 |
Average: |
121.0 |
-1.0 |
0.281 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
[K2S]A:305 |
11 |
1 |
342 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
11185 |
120.6 |
2.1 |
0.379 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[K2S]A:304 |
9 |
1 |
347 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
11074 |
113.4 |
2.0 |
0.439 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
D |
12 |
5 |
11145 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
13 |
7 |
11074 |
109.4 |
-2.1 |
0.390 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
B |
13 |
3 |
11185 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
3 |
11074 |
106.8 |
-1.5 |
0.487 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
[EDO]C:301 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
10958 |
102.9 |
3.6 |
0.580 |
4 |
0 |
0 |
0.000 |
16 |
18 |
|
[EDO]B:305 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
10 |
11185 |
98.8 |
3.1 |
0.482 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[EDO]B:304 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
10 |
11074 |
98.2 |
2.1 |
0.367 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]B:301 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11185 |
89.9 |
2.2 |
0.306 |
2 |
0 |
0 |
0.000 |
19 |
21 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
11185 |
57.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.077 |
20 |
22 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
11185 |
54.8 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.161 |
23 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
11074 |
51.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.161 |
24 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
10958 |
48.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.161 |
25 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
11145 |
48.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.161 |
Average: |
50.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.161 |
21 |
26 |
|
B |
6 |
1 |
11185 |
x |
B |
x-1,y,z |
1_455 |
7 |
3 |
11185 |
52.1 |
-0.9 |
0.446 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11074 |
48.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.165 |
28 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
10958 |
48.4 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.165 |
29 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
11145 |
45.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.165 |
30 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11185 |
45.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.165 |
Average: |
47.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.165 |
23 |
31 |
|
[EDO]B:304 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
11185 |
40.6 |
0.8 |
0.904 |
2 |
0 |
0 |
0.000 |
24 |
32 |
|
D |
7 |
2 |
11145 |
x |
D |
x,y-1,z |
1_545 |
5 |
2 |
11145 |
38.5 |
-0.3 |
0.631 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
A |
5 |
2 |
11074 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11185 |
36.8 |
-0.8 |
0.133 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[EDO]B:305 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
11074 |
30.5 |
0.7 |
0.918 |
2 |
0 |
0 |
0.002 |
27 |
35 |
|
D |
2 |
2 |
11145 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
3 |
10958 |
30.4 |
-0.4 |
0.391 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
11074 |
26.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.030 |
29 |
37 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[MG]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.049 |
30 |
38 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[MG]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.049 |
31 |
39 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.036 |
32 |
40 |
|
C |
1 |
1 |
10958 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
11185 |
16.0 |
-0.4 |
0.317 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.021 |
34 |
42 |
|
[EDO]B:305 |
2 |
1 |
184 |
f |
[K2S]A:304 |
x,y,z |
1_555 |
1 |
1 |
347 |
5.1 |
0.3 |
0.679 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
C |
2 |
1 |
10958 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11074 |
3.5 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
D |
1 |
1 |
11145 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
11185 |
2.8 |
-0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
|