## |
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 |
100 |
36 |
10552 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
91 |
22 |
10372 |
921.0 |
-9.6 |
0.131 |
3 |
0 |
0 |
0.000 |
2 |
|
D |
73 |
27 |
10113 |
◊ |
A |
x,y,z |
1_555 |
70 |
19 |
10055 |
673.4 |
-5.0 |
0.282 |
4 |
0 |
0 |
0.000 |
Average: |
797.2 |
-7.3 |
0.207 |
4 |
0 |
0 |
0.000 |
2 |
3 |
|
B |
44 |
10 |
10372 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
47 |
15 |
10372 |
430.0 |
-2.4 |
0.359 |
5 |
3 |
0 |
0.000 |
3 |
4 |
|
C |
50 |
16 |
10552 |
◊ |
A |
x,y,z |
1_555 |
44 |
16 |
10055 |
414.5 |
-0.7 |
0.541 |
5 |
2 |
0 |
0.000 |
4 |
5 |
|
C |
44 |
15 |
10552 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
44 |
13 |
10113 |
392.7 |
2.6 |
0.790 |
14 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
46 |
15 |
10372 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
10055 |
369.3 |
1.2 |
0.699 |
10 |
0 |
0 |
0.000 |
6 |
7 |
|
D |
36 |
12 |
10113 |
x |
D |
-x,y-1/2,-z-1/2 |
3_544 |
30 |
9 |
10113 |
317.0 |
2.9 |
0.836 |
6 |
2 |
0 |
0.000 |
7 |
8 |
|
C |
37 |
10 |
10552 |
◊ |
A |
x-1,y,z |
1_455 |
37 |
8 |
10055 |
307.4 |
-4.1 |
0.216 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
[60M]B:303 |
14 |
1 |
359 |
f |
B |
x,y,z |
1_555 |
39 |
13 |
10372 |
230.3 |
-2.4 |
0.262 |
5 |
0 |
0 |
0.006 |
10 |
|
[60M]A:303 |
14 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
36 |
13 |
10055 |
213.8 |
-2.2 |
0.245 |
6 |
0 |
0 |
0.006 |
Average: |
222.1 |
-2.3 |
0.254 |
6 |
0 |
0 |
0.006 |
9 |
11 |
|
C |
30 |
8 |
10552 |
◊ |
A |
x,y-1,z |
1_545 |
25 |
8 |
10055 |
221.0 |
-3.5 |
0.163 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
A |
23 |
8 |
10055 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
13 |
4 |
10372 |
165.0 |
-0.4 |
0.527 |
4 |
0 |
0 |
0.000 |
11 |
13 |
|
[EDO]C:303 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
10552 |
121.8 |
3.9 |
0.642 |
2 |
0 |
0 |
0.000 |
12 |
14 |
|
[EDO]D:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
10055 |
100.2 |
1.8 |
0.311 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
C |
11 |
8 |
10552 |
◊ |
[EDO]B:305 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
185 |
79.7 |
2.3 |
0.471 |
3 |
0 |
0 |
0.000 |
14 |
16 |
|
[EDO]B:305 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10372 |
75.1 |
1.2 |
0.216 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
C |
8 |
3 |
10552 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10372 |
66.4 |
-0.7 |
0.330 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
B |
9 |
4 |
10372 |
f |
[CL]B:304 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
125 |
53.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.008 |
17 |
19 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
10113 |
50.8 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.043 |
20 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
10552 |
45.8 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.043 |
21 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
10372 |
34.0 |
-22.0 |
0.000 |
0 |
0 |
0 |
0.043 |
22 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
10055 |
32.8 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
40.9 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.043 |
18 |
23 |
|
[CL]B:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
10372 |
48.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
10552 |
44.4 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.044 |
25 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
10113 |
43.7 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.044 |
26 |
|
[ZN]B:302 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
7 |
5 |
10372 |
34.6 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.044 |
27 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
10055 |
34.4 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
39.3 |
-29.4 |
0.000 |
0 |
0 |
0 |
0.044 |
20 |
28 |
|
[EDO]D:303 |
2 |
1 |
185 |
f |
[60M]A:303 |
x,y,z |
1_555 |
6 |
1 |
359 |
36.9 |
0.9 |
0.408 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
D |
4 |
3 |
10113 |
x |
D |
x-1,y,z |
1_455 |
7 |
4 |
10113 |
32.9 |
0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[EDO]D:303 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
10113 |
31.3 |
0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[60M]B:303 |
7 |
1 |
359 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.016 |
32 |
|
[60M]A:303 |
7 |
1 |
359 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
29.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.016 |
24 |
33 |
|
[60M]B:303 |
4 |
1 |
359 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.010 |
34 |
|
[60M]A:303 |
5 |
1 |
359 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
22.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.010 |
25 |
35 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.4 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.018 |
26 |
36 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.4 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.017 |
27 |
37 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.011 |
28 |
38 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.012 |
29 |
39 |
|
[EDO]D:303 |
1 |
1 |
185 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
|