## |
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 |
|
A |
62 |
20 |
10238 |
◊ |
B |
x,y,z-1 |
1_554 |
63 |
19 |
10226 |
588.3 |
-0.9 |
0.757 |
6 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
56 |
20 |
10226 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
55 |
20 |
10238 |
485.3 |
-2.1 |
0.650 |
11 |
4 |
0 |
0.000 |
3 |
3 |
|
B |
36 |
14 |
10226 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
10238 |
356.2 |
-4.5 |
0.253 |
4 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
31 |
10 |
10238 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
9 |
10226 |
242.4 |
-3.2 |
0.376 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
30 |
12 |
10226 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
18 |
8 |
10238 |
208.3 |
-1.3 |
0.554 |
1 |
2 |
0 |
0.000 |
6 |
6 |
|
A |
24 |
13 |
10238 |
x |
A |
-x,y-1/2,-z |
2_545 |
34 |
11 |
10238 |
208.1 |
-3.1 |
0.353 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
18 |
7 |
10238 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
21 |
11 |
10226 |
185.7 |
-0.6 |
0.613 |
2 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
21 |
9 |
10226 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
21 |
9 |
10226 |
181.1 |
-0.9 |
0.447 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
[EDO]A:240 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
10238 |
108.2 |
2.8 |
0.447 |
3 |
0 |
0 |
0.000 |
10 |
10 |
|
[EDO]B:245 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
10226 |
105.1 |
3.8 |
0.537 |
2 |
0 |
0 |
0.000 |
11 |
11 |
|
[EDO]A:239 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
10238 |
103.6 |
2.9 |
0.477 |
2 |
0 |
0 |
0.000 |
12 |
12 |
|
[EDO]B:243 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
10226 |
102.2 |
3.0 |
0.466 |
2 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]B:244 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
10226 |
97.3 |
2.5 |
0.289 |
4 |
0 |
0 |
0.000 |
14 |
14 |
|
[EDO]A:241 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
10238 |
96.4 |
3.2 |
0.538 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
[EDO]B:242 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
10226 |
89.7 |
3.4 |
0.533 |
2 |
0 |
0 |
0.000 |
16 |
16 |
|
[EDO]B:239 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
10226 |
78.9 |
1.5 |
0.234 |
1 |
0 |
0 |
0.000 |
17 |
17 |
|
[CL]A:238 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
10238 |
73.8 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.229 |
18 |
|
[CL]B:238 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
10226 |
69.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.229 |
Average: |
71.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.229 |
18 |
19 |
|
[EDO]B:240 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
10226 |
68.1 |
1.6 |
0.305 |
2 |
0 |
0 |
0.000 |
19 |
20 |
|
A |
9 |
4 |
10238 |
◊ |
[EDO]B:241 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
66.8 |
1.7 |
0.250 |
1 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]A:242 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
10238 |
52.1 |
1.6 |
0.423 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]B:241 |
3 |
1 |
184 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
10238 |
46.2 |
0.7 |
0.616 |
1 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]A:242 |
4 |
1 |
182 |
◊ |
[EDO]B:239 |
x,y,z-1 |
1_554 |
3 |
1 |
184 |
33.0 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[EDO]A:242 |
2 |
1 |
182 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
6 |
2 |
10238 |
32.1 |
0.7 |
0.509 |
1 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]B:240 |
3 |
1 |
184 |
◊ |
[EDO]B:239 |
x,y,z |
1_555 |
2 |
1 |
184 |
31.9 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
25 |
26 |
|
A |
4 |
3 |
10238 |
◊ |
[EDO]B:240 |
x,y,z-1 |
1_554 |
2 |
1 |
184 |
31.5 |
0.9 |
0.543 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]B:245 |
3 |
1 |
185 |
f |
[EDO]B:242 |
x,y,z |
1_555 |
2 |
1 |
183 |
31.0 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]B:240 |
3 |
1 |
184 |
f |
A |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
10238 |
30.4 |
0.5 |
0.726 |
1 |
0 |
0 |
0.000 |
28 |
29 |
|
[EDO]A:242 |
2 |
1 |
182 |
f |
B |
x,y,z-1 |
1_554 |
3 |
1 |
10226 |
28.4 |
0.0 |
0.447 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[EDO]A:242 |
3 |
1 |
182 |
◊ |
[EDO]B:240 |
x,y,z-1 |
1_554 |
3 |
1 |
184 |
23.2 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[EDO]B:241 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
1 |
10226 |
23.0 |
0.3 |
0.774 |
1 |
0 |
0 |
0.003 |
31 |
32 |
|
B |
2 |
1 |
10226 |
f |
[EDO]B:244 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
184 |
22.1 |
-0.0 |
0.457 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
B |
2 |
1 |
10226 |
f |
[EDO]A:239 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
185 |
19.0 |
-0.0 |
0.484 |
0 |
0 |
0 |
0.001 |
33 |
34 |
|
[EDO]B:243 |
1 |
1 |
183 |
f |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
10238 |
18.1 |
-0.1 |
0.497 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[EDO]B:239 |
3 |
1 |
184 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
10238 |
16.8 |
0.5 |
0.885 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[EDO]B:241 |
3 |
1 |
184 |
◊ |
[EDO]B:240 |
x,y,z |
1_555 |
1 |
1 |
184 |
16.6 |
1.0 |
0.707 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[EDO]B:244 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10238 |
10.4 |
0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
A |
1 |
1 |
10238 |
f |
[EDO]B:239 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
3.5 |
0.1 |
0.592 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
[EDO]A:242 |
1 |
1 |
182 |
f |
[EDO]B:241 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
3.1 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
|