## |
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 |
|
[H27]A:301 |
34 |
1 |
938 |
f |
A |
x,y,z |
1_555 |
57 |
20 |
8020 |
392.3 |
-3.7 |
0.433 |
4 |
0 |
0 |
0.009 |
2 |
2 |
|
[H27]B:301 |
34 |
1 |
958 |
f |
B |
x,y,z |
1_555 |
61 |
20 |
8157 |
391.5 |
-4.8 |
0.381 |
4 |
0 |
0 |
0.010 |
3 |
3 |
|
A |
37 |
10 |
8020 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
41 |
12 |
8020 |
380.5 |
0.7 |
0.677 |
4 |
4 |
0 |
0.000 |
4 |
|
B |
41 |
12 |
8157 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
37 |
10 |
8157 |
367.6 |
0.4 |
0.637 |
4 |
5 |
0 |
0.000 |
Average: |
374.0 |
0.5 |
0.657 |
4 |
5 |
0 |
0.000 |
4 |
5 |
|
A |
37 |
14 |
8020 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
27 |
8 |
8157 |
310.5 |
-0.2 |
0.511 |
4 |
2 |
0 |
0.000 |
6 |
|
A |
28 |
8 |
8020 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
39 |
14 |
8157 |
306.8 |
-0.1 |
0.515 |
3 |
2 |
0 |
0.000 |
Average: |
308.7 |
-0.1 |
0.513 |
4 |
2 |
0 |
0.000 |
5 |
7 |
|
A |
36 |
10 |
8020 |
x |
A |
x-1,y,z |
1_455 |
33 |
8 |
8020 |
255.3 |
-2.5 |
0.410 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
25 |
8 |
8157 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
8020 |
245.9 |
-3.9 |
0.163 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
24 |
11 |
8020 |
◊ |
B |
x,y-1,z |
1_545 |
24 |
11 |
8157 |
202.2 |
2.0 |
0.831 |
7 |
7 |
0 |
0.000 |
8 |
10 |
|
B |
22 |
6 |
8157 |
x |
B |
x-1,y,z |
1_455 |
24 |
8 |
8157 |
190.8 |
-1.3 |
0.493 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
[H27]B:301 |
14 |
1 |
958 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
8020 |
147.0 |
-2.2 |
0.523 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
[H27]A:301 |
16 |
1 |
938 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
21 |
5 |
8157 |
146.9 |
-0.6 |
0.637 |
2 |
0 |
0 |
0.000 |
11 |
13 |
|
A |
15 |
4 |
8020 |
◊ |
[H27]B:301 |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
1 |
958 |
138.5 |
-1.2 |
0.630 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
[PGO]A:307 |
5 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
8020 |
119.5 |
3.6 |
0.421 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[EDO]B:307 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
8157 |
114.1 |
3.2 |
0.502 |
3 |
0 |
0 |
0.000 |
14 |
16 |
|
A |
11 |
5 |
8020 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
16 |
8 |
8157 |
111.6 |
-1.4 |
0.315 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
B |
8 |
4 |
8157 |
x |
B |
-x,y-1/2,-z |
2_545 |
12 |
7 |
8157 |
98.5 |
1.0 |
0.643 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[PEG]A:309 |
7 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
8020 |
98.0 |
2.6 |
0.318 |
1 |
0 |
0 |
0.000 |
17 |
19 |
|
[DMS]B:309 |
4 |
1 |
205 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
8157 |
94.8 |
1.0 |
0.356 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]A:308 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
8020 |
82.0 |
2.4 |
0.488 |
1 |
0 |
0 |
0.000 |
19 |
21 |
|
[H27]A:301 |
6 |
1 |
938 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
12 |
3 |
8157 |
80.3 |
-0.7 |
0.507 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
A |
12 |
3 |
8020 |
◊ |
[EDO]B:308 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
184 |
73.6 |
1.7 |
0.233 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
[DMS]B:309 |
3 |
1 |
205 |
f |
[H27]B:301 |
x,y,z |
1_555 |
10 |
1 |
958 |
72.9 |
0.6 |
0.516 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[EDO]A:308 |
4 |
1 |
187 |
f |
A |
x-1,y,z |
1_455 |
19 |
6 |
8020 |
68.2 |
1.3 |
0.763 |
1 |
0 |
0 |
0.000 |
23 |
25 |
|
[EDO]B:308 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
8157 |
51.2 |
0.3 |
0.454 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[CA]A:304 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
8020 |
44.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.020 |
27 |
|
[CA]B:304 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
8157 |
44.3 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
44.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.020 |
25 |
28 |
|
[CA]B:305 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
8157 |
43.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.018 |
29 |
|
[CA]A:305 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8020 |
43.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
43.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.018 |
26 |
30 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
8157 |
38.1 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.041 |
31 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
8020 |
37.4 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
37.7 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.041 |
27 |
32 |
|
[H27]A:301 |
7 |
1 |
938 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
8157 |
36.0 |
-0.8 |
0.445 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[H27]B:301 |
5 |
1 |
958 |
f |
[EDO]B:308 |
x,y,z |
1_555 |
2 |
1 |
184 |
35.8 |
0.6 |
0.834 |
1 |
0 |
0 |
0.000 |
29 |
34 |
|
[ZN]A:302 |
1 |
1 |
98 |
cf |
[H27]A:301 |
x,y,z |
1_555 |
7 |
1 |
938 |
33.4 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.023 |
30 |
35 |
|
[H27]B:301 |
6 |
1 |
958 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.019 |
31 |
36 |
|
[PEG]A:309 |
2 |
1 |
264 |
f |
[PGO]A:307 |
x,y,z |
1_555 |
3 |
1 |
209 |
26.6 |
1.6 |
0.589 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[EDO]A:308 |
1 |
1 |
187 |
f |
[CA]A:305 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
7.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.002 |
33 |
38 |
|
[EDO]B:307 |
1 |
1 |
184 |
f |
B |
x-1,y,z |
1_455 |
1 |
1 |
8157 |
7.4 |
0.3 |
0.895 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
A |
1 |
1 |
8020 |
◊ |
[CA]A:305 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
2.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|