## |
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 |
310 |
78 |
11102 |
◊ |
A |
x,y,z |
1_555 |
304 |
78 |
11076 |
3016.0 |
-47.9 |
0.043 |
29 |
14 |
0 |
0.660 |
2 |
|
D |
304 |
79 |
11245 |
◊ |
C |
x,y,z |
1_555 |
298 |
75 |
11006 |
2998.5 |
-48.9 |
0.085 |
25 |
8 |
0 |
0.660 |
Average: |
3007.3 |
-48.4 |
0.064 |
27 |
11 |
0 |
0.660 |
2 |
3 |
|
D |
69 |
16 |
11245 |
◊ |
B |
x-1,y,z |
1_455 |
64 |
15 |
11102 |
482.5 |
-4.0 |
0.714 |
6 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
35 |
10 |
11006 |
◊ |
A |
x-1,y+1,z |
1_465 |
43 |
15 |
11076 |
373.9 |
-4.5 |
0.425 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
34 |
7 |
11245 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
11076 |
282.2 |
-3.2 |
0.542 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
21 |
8 |
11102 |
◊ |
D |
x,y-1,z+1 |
1_546 |
23 |
7 |
11245 |
209.1 |
-2.8 |
0.449 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
[K0J]C:304 |
10 |
1 |
301 |
f |
C |
x,y,z |
1_555 |
24 |
7 |
11006 |
132.4 |
0.1 |
0.301 |
2 |
0 |
0 |
0.008 |
8 |
|
[K0J]A:303 |
10 |
1 |
301 |
f |
B |
x,y,z |
1_555 |
23 |
6 |
11102 |
128.3 |
1.4 |
0.459 |
1 |
0 |
0 |
0.008 |
Average: |
130.3 |
0.8 |
0.380 |
2 |
0 |
0 |
0.008 |
7 |
9 |
|
[K0J]C:304 |
10 |
1 |
301 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
11245 |
129.4 |
0.9 |
0.364 |
2 |
0 |
0 |
0.002 |
10 |
|
[K0J]A:303 |
10 |
1 |
301 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
11076 |
127.3 |
0.3 |
0.305 |
1 |
0 |
0 |
0.002 |
Average: |
128.3 |
0.6 |
0.334 |
2 |
0 |
0 |
0.002 |
8 |
11 |
|
D |
9 |
2 |
11245 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
9 |
11076 |
125.7 |
-0.8 |
0.302 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
13 |
9 |
11006 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
2 |
11102 |
120.8 |
-1.2 |
0.247 |
1 |
0 |
0 |
0.000 |
Average: |
123.2 |
-1.0 |
0.274 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
D |
14 |
5 |
11245 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
14 |
7 |
11076 |
124.8 |
-2.3 |
0.377 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
B |
13 |
3 |
11102 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
3 |
11076 |
111.4 |
-1.4 |
0.483 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[EDO]C:305 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
10 |
11006 |
104.1 |
3.2 |
0.529 |
1 |
0 |
0 |
0.000 |
16 |
|
[EDO]D:303 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
15 |
9 |
11245 |
103.0 |
3.2 |
0.533 |
1 |
0 |
0 |
0.000 |
Average: |
103.6 |
3.2 |
0.531 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]B:305 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
8 |
11102 |
102.3 |
3.1 |
0.499 |
2 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:304 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
11 |
11076 |
101.3 |
3.2 |
0.527 |
2 |
0 |
0 |
0.000 |
Average: |
101.8 |
3.2 |
0.513 |
2 |
0 |
0 |
0.000 |
13 |
19 |
|
[EDO]C:301 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
11006 |
100.9 |
3.4 |
0.576 |
3 |
0 |
0 |
0.000 |
14 |
20 |
|
[EDO]B:302 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11102 |
89.9 |
2.1 |
0.303 |
3 |
0 |
0 |
0.000 |
15 |
21 |
|
D |
7 |
3 |
11245 |
x |
D |
x,y-1,z |
1_545 |
9 |
3 |
11245 |
65.3 |
-1.1 |
0.475 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
11102 |
57.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.077 |
17 |
23 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
11102 |
55.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.224 |
24 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
11076 |
53.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.224 |
25 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
11006 |
50.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.224 |
26 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
11006 |
49.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.224 |
27 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
11245 |
48.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.224 |
Average: |
51.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.224 |
18 |
28 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
11102 |
52.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.139 |
29 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11076 |
51.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.139 |
30 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
11245 |
50.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.139 |
Average: |
51.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.139 |
19 |
31 |
|
B |
6 |
1 |
11102 |
x |
B |
x-1,y,z |
1_455 |
6 |
2 |
11102 |
50.4 |
-0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
D |
4 |
4 |
11245 |
◊ |
C |
x,y-1,z |
1_545 |
9 |
5 |
11006 |
46.5 |
-1.1 |
0.354 |
0 |
0 |
0 |
0.000 |
21 |
33 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
11102 |
41.6 |
0.9 |
0.900 |
2 |
0 |
0 |
0.000 |
34 |
|
[EDO]B:305 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
11076 |
40.4 |
0.8 |
0.896 |
2 |
0 |
0 |
0.000 |
Average: |
41.0 |
0.8 |
0.898 |
2 |
0 |
0 |
0.001 |
22 |
35 |
|
[EDO]D:303 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
11006 |
40.6 |
0.9 |
0.908 |
2 |
0 |
0 |
0.001 |
36 |
|
[EDO]C:305 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
11245 |
39.6 |
0.8 |
0.914 |
2 |
0 |
0 |
0.001 |
Average: |
40.1 |
0.8 |
0.911 |
2 |
0 |
0 |
0.001 |
23 |
37 |
|
A |
6 |
3 |
11076 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11102 |
38.4 |
-0.8 |
0.116 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[MG]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.059 |
25 |
39 |
|
[CL]B:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
11076 |
26.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.030 |
26 |
40 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[MG]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.057 |
27 |
41 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.033 |
28 |
42 |
|
D |
1 |
1 |
11245 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
11102 |
13.2 |
-0.4 |
0.344 |
0 |
0 |
0 |
0.000 |
29 |
43 |
|
C |
2 |
2 |
11006 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
2 |
11102 |
11.5 |
-0.4 |
0.422 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
[MG]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.012 |
31 |
45 |
|
C |
2 |
1 |
11006 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11076 |
1.5 |
-0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
|