## |
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 |
313 |
78 |
11141 |
◊ |
A |
x,y,z |
1_555 |
299 |
79 |
11050 |
3048.1 |
-47.0 |
0.040 |
31 |
14 |
0 |
0.708 |
2 |
|
D |
304 |
79 |
11239 |
◊ |
C |
x,y,z |
1_555 |
300 |
76 |
10940 |
3017.9 |
-47.8 |
0.062 |
28 |
9 |
0 |
0.708 |
Average: |
3033.0 |
-47.4 |
0.051 |
30 |
12 |
0 |
0.708 |
2 |
3 |
|
D |
69 |
16 |
11239 |
◊ |
B |
x-1,y,z |
1_455 |
68 |
17 |
11141 |
520.0 |
-2.9 |
0.752 |
9 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
35 |
10 |
10940 |
◊ |
A |
x-1,y+1,z |
1_465 |
43 |
15 |
11050 |
371.9 |
-4.3 |
0.401 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
33 |
7 |
11239 |
◊ |
A |
x,y,z |
1_555 |
34 |
8 |
11050 |
283.8 |
-3.0 |
0.546 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
22 |
8 |
11141 |
◊ |
D |
x,y-1,z+1 |
1_546 |
24 |
8 |
11239 |
235.4 |
-1.6 |
0.580 |
2 |
3 |
0 |
0.000 |
6 |
7 |
|
[K3V]A:303 |
14 |
1 |
366 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
11141 |
154.0 |
2.6 |
0.315 |
1 |
0 |
0 |
0.000 |
8 |
|
[K3V]B:305 |
14 |
1 |
365 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
11050 |
144.4 |
2.8 |
0.324 |
1 |
0 |
0 |
0.000 |
9 |
|
[K3V]C:304 |
13 |
1 |
361 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
10940 |
132.8 |
2.2 |
0.295 |
1 |
0 |
0 |
0.000 |
Average: |
143.7 |
2.5 |
0.312 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
[K3V]C:305 |
14 |
1 |
366 |
f |
D |
x,y,z |
1_555 |
18 |
5 |
11239 |
130.8 |
1.5 |
0.265 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
D |
9 |
2 |
11239 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
9 |
11050 |
126.0 |
-0.8 |
0.287 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
13 |
9 |
10940 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
2 |
11141 |
121.9 |
-1.2 |
0.230 |
1 |
0 |
0 |
0.000 |
Average: |
123.9 |
-1.0 |
0.259 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
[K3V]C:305 |
12 |
1 |
366 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
10940 |
111.3 |
1.9 |
0.354 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
[EDO]A:304 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
11 |
11050 |
108.6 |
2.8 |
0.478 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[K3V]B:305 |
13 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
11141 |
108.5 |
1.7 |
0.237 |
1 |
0 |
0 |
0.000 |
16 |
|
[K3V]C:304 |
13 |
1 |
361 |
f |
D |
x,y,z |
1_555 |
18 |
4 |
11239 |
107.4 |
1.8 |
0.274 |
1 |
0 |
0 |
0.000 |
17 |
|
[K3V]A:303 |
13 |
1 |
366 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
11050 |
107.3 |
1.5 |
0.249 |
1 |
0 |
0 |
0.000 |
Average: |
107.7 |
1.7 |
0.253 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
D |
12 |
5 |
11239 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
13 |
7 |
11050 |
107.3 |
-2.0 |
0.382 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
B |
13 |
3 |
11141 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
3 |
11050 |
105.2 |
-1.4 |
0.473 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
[EDO]D:303 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
15 |
9 |
10940 |
103.7 |
2.9 |
0.482 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
[EDO]C:306 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
14 |
9 |
11239 |
103.2 |
3.1 |
0.504 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]C:301 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
10940 |
99.6 |
3.1 |
0.328 |
2 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]B:302 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11141 |
88.6 |
2.1 |
0.302 |
3 |
0 |
0 |
0.000 |
18 |
24 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
11141 |
57.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.078 |
19 |
25 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
11050 |
52.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.314 |
26 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
11141 |
51.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.314 |
27 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
10940 |
48.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.314 |
28 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
11239 |
48.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.314 |
29 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
10940 |
47.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.314 |
30 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
11239 |
46.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.314 |
Average: |
49.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.314 |
20 |
31 |
|
B |
7 |
1 |
11141 |
x |
B |
x-1,y,z |
1_455 |
8 |
2 |
11141 |
51.7 |
0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
11050 |
49.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.156 |
33 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
11141 |
45.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.156 |
Average: |
47.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.156 |
22 |
34 |
|
D |
6 |
2 |
11239 |
x |
D |
x,y-1,z |
1_545 |
8 |
3 |
11239 |
41.6 |
-0.3 |
0.610 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
[EDO]D:303 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
11239 |
41.2 |
0.8 |
0.901 |
2 |
0 |
0 |
0.000 |
24 |
36 |
|
[EDO]C:306 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
10940 |
40.4 |
0.8 |
0.904 |
2 |
0 |
0 |
0.000 |
25 |
37 |
|
A |
6 |
3 |
11050 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11141 |
36.6 |
-0.7 |
0.128 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
C |
2 |
1 |
10940 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
11141 |
32.3 |
-0.7 |
0.259 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[EDO]A:304 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
11141 |
31.5 |
0.9 |
0.920 |
1 |
0 |
0 |
0.000 |
28 |
40 |
|
D |
2 |
2 |
11239 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
3 |
10940 |
30.6 |
-0.6 |
0.322 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[MG]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.062 |
30 |
42 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[MG]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.061 |
31 |
43 |
|
[CL]B:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
11050 |
24.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.028 |
32 |
44 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.036 |
33 |
45 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
[MG]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.034 |
34 |
46 |
|
D |
1 |
1 |
11239 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
11141 |
12.7 |
-0.3 |
0.341 |
0 |
0 |
0 |
0.000 |
35 |
47 |
|
[K3V]C:305 |
1 |
1 |
366 |
f |
[MG]D:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
36 |
48 |
|
C |
2 |
1 |
10940 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11050 |
0.9 |
-0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
|