## |
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 |
111 |
35 |
15035 |
◊ |
A |
x,y,z |
1_555 |
108 |
34 |
14761 |
911.6 |
-7.6 |
0.314 |
6 |
3 |
0 |
0.000 |
2 |
2 |
|
C |
33 |
4 |
983 |
◊ |
A |
x,y,z |
1_555 |
61 |
25 |
14761 |
407.7 |
-4.3 |
0.267 |
6 |
2 |
0 |
0.048 |
3 |
|
D |
33 |
4 |
1047 |
◊ |
B |
x,y,z |
1_555 |
64 |
25 |
15035 |
407.2 |
-4.8 |
0.240 |
6 |
1 |
0 |
0.048 |
Average: |
407.4 |
-4.6 |
0.253 |
6 |
2 |
0 |
0.048 |
3 |
4 |
|
B |
37 |
10 |
15035 |
◊ |
A |
x-1/2,-y-1/2,-z |
3_445 |
39 |
9 |
14761 |
375.9 |
0.2 |
0.560 |
7 |
5 |
0 |
0.000 |
4 |
5 |
|
B |
44 |
13 |
15035 |
◊ |
A |
x-1/2,-y+1/2,-z |
3_455 |
35 |
9 |
14761 |
353.7 |
0.3 |
0.507 |
6 |
3 |
0 |
0.000 |
5 |
6 |
|
B |
39 |
14 |
15035 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
39 |
10 |
14761 |
348.4 |
-0.8 |
0.576 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
33 |
10 |
15035 |
x |
B |
x-1/2,-y+1/2,-z |
3_455 |
41 |
12 |
15035 |
324.6 |
2.1 |
0.782 |
6 |
6 |
0 |
0.000 |
7 |
8 |
|
A |
26 |
7 |
14761 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
24 |
5 |
15035 |
199.4 |
-1.1 |
0.464 |
2 |
1 |
0 |
0.000 |
8 |
9 |
|
D |
12 |
3 |
1047 |
◊ |
A |
x,y,z |
1_555 |
25 |
11 |
14761 |
159.6 |
-2.0 |
0.431 |
2 |
0 |
0 |
0.000 |
10 |
|
C |
11 |
2 |
983 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
15035 |
95.7 |
-0.9 |
0.512 |
0 |
0 |
0 |
0.000 |
Average: |
127.7 |
-1.5 |
0.471 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
[K]A:403 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
14761 |
113.5 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.696 |
12 |
|
[K]B:403 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
15035 |
112.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.696 |
Average: |
113.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.696 |
10 |
13 |
|
[MCM]D:601 |
12 |
1 |
337 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
14761 |
107.7 |
2.0 |
0.098 |
0 |
0 |
0 |
0.000 |
14 |
|
[MCM]C:601 |
12 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
15035 |
105.8 |
1.7 |
0.078 |
0 |
0 |
0 |
0.000 |
Average: |
106.7 |
1.9 |
0.088 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[MCM]C:601 |
13 |
1 |
335 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
14761 |
107.6 |
2.0 |
0.033 |
3 |
0 |
0 |
0.000 |
16 |
|
[MCM]D:601 |
13 |
1 |
337 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
15035 |
107.6 |
1.8 |
0.027 |
2 |
0 |
0 |
0.000 |
Average: |
107.6 |
1.9 |
0.030 |
3 |
0 |
0 |
0.000 |
12 |
17 |
|
[ACE]D:501 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
5 |
2 |
1047 |
62.3 |
-0.2 |
0.786 |
1 |
0 |
0 |
0.210 |
13 |
18 |
|
[ACE]C:501 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
983 |
62.2 |
-0.5 |
0.768 |
0 |
0 |
0 |
0.261 |
14 |
19 |
|
[MCM]D:601 |
12 |
1 |
337 |
◊ |
[MCM]C:601 |
x,y,z |
1_555 |
12 |
1 |
335 |
59.2 |
3.4 |
0.001 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[GOL]A:404 |
4 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
14761 |
47.9 |
-1.3 |
0.058 |
0 |
0 |
0 |
0.008 |
16 |
21 |
|
[MCM]C:601 |
4 |
1 |
335 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
983 |
45.1 |
0.3 |
0.184 |
0 |
0 |
0 |
0.000 |
22 |
|
[MCM]D:601 |
4 |
1 |
337 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
1047 |
45.0 |
0.3 |
0.189 |
0 |
0 |
0 |
0.000 |
Average: |
45.0 |
0.3 |
0.187 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
15035 |
38.0 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.177 |
24 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
14761 |
38.0 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.177 |
Average: |
38.0 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.177 |
18 |
25 |
|
B |
3 |
1 |
15035 |
f |
[MG]A:405 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
98 |
36.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.025 |
19 |
26 |
|
[MG]A:405 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14761 |
35.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[ZN]A:401 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
983 |
26.4 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.076 |
28 |
|
[ZN]B:401 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
1047 |
26.3 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
26.4 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.076 |
21 |
29 |
|
A |
7 |
3 |
14761 |
x |
A |
x-1/2,-y-1/2,-z |
3_445 |
3 |
3 |
14761 |
20.0 |
0.6 |
0.755 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[ACE]D:501 |
1 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14761 |
19.7 |
-0.6 |
0.430 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[MCM]C:601 |
1 |
1 |
335 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1047 |
10.4 |
0.3 |
0.536 |
0 |
0 |
0 |
0.000 |
32 |
|
[MCM]D:601 |
1 |
1 |
337 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
983 |
9.7 |
0.3 |
0.535 |
0 |
0 |
0 |
0.000 |
Average: |
10.1 |
0.3 |
0.536 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[ACE]D:501 |
1 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15035 |
7.9 |
0.2 |
0.740 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[ACE]C:501 |
1 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14761 |
7.3 |
0.2 |
0.741 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
A |
1 |
1 |
14761 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
14761 |
1.3 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
|