## |
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 |
77 |
22 |
12021 |
◊ |
A |
x,y,z |
1_555 |
79 |
24 |
11844 |
692.5 |
-4.0 |
0.433 |
2 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
63 |
18 |
12021 |
x |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
48 |
16 |
12021 |
484.9 |
1.2 |
0.756 |
8 |
2 |
0 |
0.000 |
3 |
3 |
|
B |
47 |
15 |
12021 |
◊ |
A |
x,y-1,z |
1_545 |
52 |
19 |
11844 |
428.5 |
2.0 |
0.776 |
3 |
6 |
0 |
0.000 |
4 |
4 |
|
B |
44 |
12 |
12021 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
43 |
11 |
11844 |
388.8 |
-2.4 |
0.346 |
4 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
39 |
13 |
12021 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
39 |
10 |
11844 |
372.7 |
-3.2 |
0.329 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
[V90]A:308 |
24 |
1 |
553 |
f |
A |
x,y,z |
1_555 |
38 |
17 |
11844 |
324.5 |
-0.2 |
0.314 |
2 |
0 |
0 |
0.003 |
7 |
|
[V90]B:308 |
24 |
1 |
539 |
f |
B |
x,y,z |
1_555 |
38 |
16 |
12021 |
318.2 |
0.5 |
0.360 |
2 |
0 |
0 |
0.003 |
Average: |
321.3 |
0.1 |
0.337 |
2 |
0 |
0 |
0.003 |
7 |
8 |
|
A |
32 |
11 |
11844 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
36 |
9 |
11844 |
319.8 |
-0.9 |
0.540 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
B |
25 |
7 |
12021 |
◊ |
A |
x-1,y,z |
1_455 |
24 |
6 |
11844 |
200.5 |
0.1 |
0.646 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
B |
16 |
6 |
12021 |
◊ |
A |
x-1,y-1,z |
1_445 |
18 |
6 |
11844 |
184.6 |
-2.4 |
0.236 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
[CIT]B:303 |
12 |
1 |
315 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
12021 |
159.8 |
2.5 |
0.600 |
7 |
0 |
0 |
0.002 |
11 |
12 |
|
[CIT]B:302 |
10 |
1 |
311 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
12021 |
133.0 |
0.7 |
0.365 |
6 |
0 |
0 |
0.005 |
12 |
13 |
|
[CIT]A:305 |
10 |
1 |
321 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
11844 |
131.8 |
0.7 |
0.483 |
6 |
0 |
0 |
0.005 |
13 |
14 |
|
[CIT]A:302 |
10 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
11844 |
129.1 |
1.8 |
0.540 |
4 |
0 |
0 |
0.000 |
14 |
15 |
|
[PEG]B:304 |
7 |
1 |
267 |
◊ |
A |
x,y-1,z |
1_545 |
18 |
5 |
11844 |
120.2 |
2.9 |
0.378 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:304 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
11844 |
106.6 |
3.4 |
0.522 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
A |
17 |
7 |
11844 |
◊ |
[EDO]A:303 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
183 |
99.7 |
2.6 |
0.418 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
[PEG]B:304 |
7 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12021 |
92.6 |
1.8 |
0.254 |
2 |
0 |
0 |
0.000 |
18 |
19 |
|
[ACT]A:307 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
11844 |
89.7 |
-1.0 |
0.501 |
3 |
0 |
0 |
0.006 |
19 |
20 |
|
[EDO]A:306 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
11844 |
88.1 |
2.4 |
0.381 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[ACT]B:305 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
12021 |
87.9 |
-1.0 |
0.477 |
3 |
0 |
0 |
0.006 |
21 |
22 |
|
[EDO]B:307 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12021 |
72.0 |
1.7 |
0.255 |
1 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]B:306 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12021 |
71.4 |
2.0 |
0.412 |
1 |
0 |
0 |
0.000 |
23 |
24 |
|
[EDO]B:306 |
4 |
1 |
182 |
◊ |
A |
x,y-1,z |
1_545 |
8 |
4 |
11844 |
65.2 |
2.0 |
0.836 |
1 |
0 |
0 |
0.000 |
24 |
25 |
|
B |
4 |
2 |
12021 |
◊ |
[V90]A:308 |
x,y-1,z |
1_545 |
7 |
1 |
553 |
57.9 |
2.1 |
0.604 |
2 |
0 |
0 |
0.000 |
25 |
26 |
|
[EDO]A:303 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
11844 |
55.6 |
1.2 |
0.830 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
11844 |
37.9 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.070 |
28 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
12021 |
37.1 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
37.5 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.070 |
27 |
29 |
|
[V90]B:308 |
2 |
1 |
539 |
f |
[ACT]B:305 |
x,y,z |
1_555 |
4 |
1 |
184 |
33.9 |
-1.2 |
0.217 |
0 |
0 |
0 |
0.003 |
28 |
30 |
|
[V90]A:308 |
2 |
1 |
553 |
f |
[ACT]A:307 |
x,y,z |
1_555 |
4 |
1 |
182 |
33.2 |
-1.3 |
0.204 |
0 |
0 |
0 |
0.003 |
29 |
31 |
|
[ACT]A:307 |
3 |
1 |
182 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.5 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.026 |
30 |
32 |
|
[ACT]B:305 |
3 |
1 |
184 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.024 |
31 |
33 |
|
B |
3 |
1 |
12021 |
◊ |
[CIT]A:305 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
321 |
11.7 |
-0.7 |
0.324 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[EDO]B:306 |
1 |
1 |
182 |
f |
[PEG]B:304 |
x,y,z |
1_555 |
2 |
1 |
267 |
9.2 |
0.6 |
0.535 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
[V90]B:308 |
2 |
1 |
539 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.007 |
36 |
|
[V90]A:308 |
2 |
1 |
553 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
6.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.007 |
34 |
37 |
|
[CIT]B:302 |
2 |
1 |
311 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
11844 |
7.4 |
-0.1 |
0.482 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[CIT]B:302 |
1 |
1 |
311 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
12021 |
6.4 |
0.1 |
0.338 |
0 |
0 |
0 |
0.000 |
|