## |
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 |
|
C |
222 |
47 |
7568 |
◊ |
A |
x,y,z |
1_555 |
266 |
71 |
12336 |
2258.3 |
-22.4 |
0.296 |
27 |
13 |
0 |
0.936 |
2 |
|
D |
211 |
47 |
7340 |
◊ |
B |
x,y,z |
1_555 |
257 |
68 |
12369 |
2190.7 |
-21.8 |
0.323 |
25 |
14 |
0 |
0.936 |
Average: |
2224.5 |
-22.1 |
0.309 |
26 |
14 |
0 |
0.936 |
2 |
3 |
|
A |
42 |
10 |
12336 |
◊ |
D |
x-1,y,z |
1_455 |
40 |
9 |
7340 |
353.9 |
0.4 |
0.777 |
4 |
0 |
0 |
0.000 |
4 |
|
C |
36 |
9 |
7568 |
◊ |
B |
x,y,z |
1_555 |
39 |
10 |
12369 |
348.3 |
-0.4 |
0.686 |
5 |
0 |
0 |
0.000 |
Average: |
351.1 |
-0.0 |
0.731 |
5 |
0 |
0 |
0.000 |
3 |
5 |
|
C |
35 |
10 |
7568 |
x |
C |
x-1,y,z |
1_455 |
39 |
9 |
7568 |
347.9 |
-2.1 |
0.660 |
2 |
2 |
0 |
0.000 |
6 |
|
D |
27 |
11 |
7340 |
x |
D |
x-1,y,z |
1_455 |
39 |
9 |
7340 |
316.1 |
-1.6 |
0.693 |
1 |
1 |
0 |
0.000 |
Average: |
332.0 |
-1.8 |
0.676 |
2 |
2 |
0 |
0.000 |
4 |
7 |
|
A |
36 |
10 |
12336 |
◊ |
B |
x,y,z-1 |
1_554 |
36 |
10 |
12369 |
301.4 |
-1.8 |
0.452 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
28 |
10 |
12369 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
12336 |
204.1 |
-0.0 |
0.623 |
2 |
2 |
0 |
0.000 |
9 |
|
A |
28 |
9 |
12336 |
◊ |
B |
x-1,y,z |
1_455 |
20 |
7 |
12369 |
200.0 |
0.6 |
0.673 |
1 |
2 |
0 |
0.000 |
Average: |
202.1 |
0.3 |
0.648 |
2 |
2 |
0 |
0.000 |
6 |
10 |
|
C |
19 |
6 |
7568 |
◊ |
A |
x-1,y,z |
1_455 |
32 |
9 |
12336 |
202.5 |
-0.6 |
0.625 |
0 |
0 |
0 |
0.000 |
11 |
|
D |
13 |
5 |
7340 |
◊ |
B |
x-1,y,z |
1_455 |
22 |
7 |
12369 |
164.9 |
-1.3 |
0.483 |
0 |
0 |
0 |
0.000 |
Average: |
183.7 |
-0.9 |
0.554 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
D |
13 |
6 |
7340 |
◊ |
C |
x,y-1,z+1 |
1_546 |
13 |
5 |
7568 |
122.8 |
-1.8 |
0.422 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
[EDO]B:401 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
12369 |
111.2 |
3.4 |
0.469 |
3 |
0 |
0 |
0.000 |
9 |
14 |
|
[EDO]A:401 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
12336 |
111.0 |
3.5 |
0.471 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
[EDO]B:403 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
12369 |
108.5 |
2.9 |
0.427 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
[EDO]A:403 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
12336 |
107.1 |
3.1 |
0.433 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]A:404 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
12336 |
100.9 |
2.8 |
0.430 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[EDO]A:402 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
12336 |
92.5 |
2.3 |
0.481 |
2 |
0 |
0 |
0.000 |
14 |
19 |
|
[EDO]C:601 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
7568 |
81.2 |
1.6 |
0.268 |
2 |
0 |
0 |
0.000 |
15 |
20 |
|
[EDO]B:402 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
12369 |
80.1 |
2.7 |
0.311 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[EDO]C:601 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
12336 |
75.8 |
1.8 |
0.242 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[EDO]B:402 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
7340 |
73.5 |
1.2 |
0.240 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[MN]A:407 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
12336 |
73.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.144 |
24 |
|
[MN]B:405 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
12369 |
72.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.144 |
Average: |
72.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.144 |
19 |
25 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12336 |
65.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.173 |
20 |
26 |
|
[MN]A:406 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
12336 |
61.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.137 |
27 |
|
[MN]B:404 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
12369 |
58.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
59.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.137 |
21 |
28 |
|
C |
4 |
2 |
7568 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
3 |
7340 |
58.8 |
-1.5 |
0.303 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
2 |
1 |
7340 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
7568 |
31.4 |
-0.8 |
0.305 |
0 |
0 |
0 |
0.000 |
Average: |
45.1 |
-1.1 |
0.304 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[EDO]A:402 |
3 |
1 |
184 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
1 |
7340 |
47.4 |
1.6 |
0.310 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[CL]A:405 |
1 |
1 |
125 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
7340 |
30.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[MN]B:405 |
1 |
1 |
123 |
f |
[MN]B:404 |
x,y,z |
1_555 |
1 |
1 |
123 |
22.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.059 |
25 |
33 |
|
[MN]A:407 |
1 |
1 |
123 |
f |
[MN]A:406 |
x,y,z |
1_555 |
1 |
1 |
123 |
20.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.039 |
26 |
34 |
|
[EDO]A:402 |
3 |
1 |
184 |
f |
B |
x-1,y,z |
1_455 |
5 |
2 |
12369 |
18.9 |
0.3 |
0.632 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
C |
3 |
1 |
7568 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
12369 |
16.5 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
36 |
|
D |
4 |
1 |
7340 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12336 |
7.4 |
-0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
Average: |
12.0 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
B |
1 |
1 |
12369 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
7340 |
8.3 |
0.3 |
0.787 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
1 |
1 |
12336 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
7568 |
4.7 |
0.2 |
0.754 |
0 |
0 |
0 |
0.000 |
Average: |
6.5 |
0.2 |
0.771 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
[EDO]A:403 |
1 |
1 |
185 |
f |
[EDO]A:402 |
x,y,z |
1_555 |
2 |
1 |
184 |
6.1 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[EDO]A:403 |
2 |
1 |
185 |
f |
[EDO]A:401 |
x,y,z |
1_555 |
1 |
1 |
186 |
5.4 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
|