## |
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 |
154 |
47 |
9844 |
◊ |
A |
x,y,z |
1_555 |
154 |
46 |
9789 |
1477.5 |
-22.8 |
0.044 |
19 |
2 |
0 |
0.113 |
2 |
2 |
|
B |
59 |
18 |
9844 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
50 |
18 |
9844 |
464.0 |
-1.1 |
0.719 |
6 |
4 |
0 |
0.000 |
3 |
3 |
|
A |
43 |
11 |
9789 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
38 |
13 |
9844 |
408.9 |
-1.4 |
0.573 |
4 |
2 |
0 |
0.000 |
4 |
4 |
|
B |
34 |
10 |
9844 |
◊ |
A |
x-1,y,z |
1_455 |
29 |
10 |
9789 |
261.2 |
-0.7 |
0.677 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
24 |
8 |
9844 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
24 |
9 |
9789 |
248.2 |
-3.3 |
0.217 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
27 |
10 |
9789 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
28 |
7 |
9789 |
242.4 |
-1.6 |
0.438 |
1 |
2 |
0 |
0.000 |
7 |
7 |
|
[5RP]A:301 |
14 |
1 |
344 |
f |
A |
x,y,z |
1_555 |
34 |
16 |
9789 |
189.0 |
2.6 |
0.582 |
13 |
0 |
0 |
0.011 |
8 |
8 |
|
[5RP]B:301 |
14 |
1 |
338 |
f |
B |
x,y,z |
1_555 |
32 |
16 |
9844 |
184.8 |
2.7 |
0.598 |
13 |
0 |
0 |
0.014 |
9 |
9 |
|
B |
18 |
6 |
9844 |
x |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
21 |
7 |
9844 |
171.9 |
-0.7 |
0.597 |
1 |
1 |
0 |
0.000 |
10 |
10 |
|
B |
13 |
4 |
9844 |
◊ |
[EDO]A:305 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
89.9 |
1.6 |
0.304 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[EDO]B:313 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
9844 |
74.5 |
1.5 |
0.788 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
9844 |
73.7 |
1.4 |
0.638 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
B |
12 |
3 |
9844 |
f |
[EDO]B:314 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
183 |
72.6 |
1.2 |
0.759 |
1 |
0 |
0 |
0.000 |
14 |
14 |
|
[EDO]B:311 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
9844 |
72.2 |
2.0 |
0.283 |
2 |
0 |
0 |
0.000 |
15 |
15 |
|
[EDO]B:310 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9844 |
71.0 |
1.4 |
0.206 |
2 |
0 |
0 |
0.000 |
16 |
16 |
|
[EDO]B:312 |
4 |
1 |
185 |
f |
A |
x-1/2,-y+1/2,-z |
4_455 |
11 |
5 |
9789 |
70.7 |
2.3 |
0.953 |
2 |
0 |
0 |
0.000 |
17 |
17 |
|
[EDO]A:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9789 |
67.7 |
1.4 |
0.835 |
2 |
0 |
0 |
0.000 |
18 |
18 |
|
[EDO]B:312 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
9844 |
64.4 |
1.4 |
0.624 |
0 |
0 |
0 |
0.000 |
19 |
19 |
|
[EDO]B:310 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
9789 |
61.9 |
1.7 |
0.273 |
1 |
0 |
0 |
0.000 |
20 |
20 |
|
A |
8 |
3 |
9789 |
◊ |
[EDO]B:315 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
185 |
59.2 |
1.4 |
0.755 |
1 |
0 |
0 |
0.000 |
21 |
21 |
|
[ZN]B:305 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9844 |
48.3 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.103 |
22 |
22 |
|
[EDO]A:304 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
9789 |
47.9 |
1.3 |
0.720 |
0 |
0 |
0 |
0.000 |
23 |
23 |
|
[ZN]B:306 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
9844 |
45.4 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.107 |
24 |
24 |
|
[EDO]B:315 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
9844 |
44.7 |
0.8 |
0.621 |
1 |
0 |
0 |
0.000 |
25 |
25 |
|
[ZN]B:307 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
9844 |
43.0 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.110 |
26 |
26 |
|
[EDO]B:311 |
3 |
1 |
186 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
9844 |
42.3 |
1.0 |
0.779 |
0 |
0 |
0 |
0.000 |
27 |
27 |
|
[ZN]B:308 |
1 |
1 |
98 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
12 |
7 |
9844 |
35.8 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.084 |
28 |
28 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9789 |
35.5 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.102 |
29 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9844 |
35.2 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
35.3 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.102 |
29 |
30 |
|
[ZN]B:309 |
1 |
1 |
98 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
12 |
7 |
9844 |
34.2 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.145 |
31 |
|
[ZN]B:304 |
1 |
1 |
98 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
14 |
7 |
9844 |
33.7 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.145 |
Average: |
33.9 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.145 |
30 |
32 |
|
[ZN]B:305 |
1 |
1 |
98 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
9844 |
34.0 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
9789 |
31.3 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.136 |
34 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
9844 |
30.8 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.136 |
Average: |
31.1 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.136 |
32 |
35 |
|
[5RP]A:301 |
3 |
1 |
344 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9844 |
30.8 |
0.4 |
0.444 |
2 |
0 |
0 |
0.002 |
33 |
36 |
|
B |
6 |
2 |
9844 |
◊ |
[ZN]B:307 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
98 |
30.5 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
37 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
[5RP]A:301 |
x,y,z |
1_555 |
4 |
1 |
344 |
29.9 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.116 |
38 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
[5RP]B:301 |
x,y,z |
1_555 |
4 |
1 |
338 |
29.4 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.116 |
Average: |
29.6 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.116 |
35 |
39 |
|
[5RP]B:301 |
4 |
1 |
338 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9789 |
29.6 |
0.6 |
0.478 |
1 |
0 |
0 |
0.000 |
36 |
40 |
|
B |
2 |
2 |
9844 |
◊ |
[ZN]B:306 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
98 |
27.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
[ZN]B:304 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
9844 |
27.7 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[ZN]B:309 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
9844 |
25.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[ZN]B:308 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
9844 |
23.9 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
25.7 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
[5RP]B:301 |
x,y,z |
1_555 |
8 |
1 |
338 |
27.4 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.096 |
45 |
|
[ZN]A:303 |
1 |
1 |
98 |
cf |
[5RP]A:301 |
x,y,z |
1_555 |
4 |
1 |
344 |
27.4 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
27.4 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.096 |
39 |
46 |
|
[EDO]B:310 |
2 |
1 |
185 |
f |
[EDO]A:304 |
x,y,z |
1_555 |
2 |
1 |
185 |
22.7 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
40 |
47 |
|
[ZN]B:303 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
9789 |
22.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.056 |
48 |
|
[ZN]A:303 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
9844 |
21.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
21.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.056 |
41 |
49 |
|
A |
2 |
1 |
9789 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
4 |
2 |
9844 |
19.3 |
-0.2 |
0.494 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
[EDO]B:311 |
2 |
1 |
186 |
◊ |
[EDO]B:314 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
183 |
17.7 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
43 |
51 |
|
[ZN]B:308 |
1 |
1 |
98 |
◊ |
[ZN]B:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.9 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.059 |
44 |
52 |
|
[ZN]B:309 |
1 |
1 |
98 |
f |
[ZN]B:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.8 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.100 |
45 |
53 |
|
[ZN]B:303 |
1 |
1 |
98 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.037 |
46 |
54 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.031 |
47 |
55 |
|
[ZN]B:309 |
1 |
1 |
98 |
◊ |
[ZN]B:308 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.029 |
48 |
56 |
|
[EDO]B:313 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
9789 |
7.9 |
0.2 |
0.904 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
A |
1 |
1 |
9789 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
9844 |
2.5 |
0.1 |
0.788 |
0 |
0 |
0 |
0.000 |
|