## |
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 |
78 |
24 |
11533 |
◊ |
A |
x,y,z |
1_555 |
76 |
22 |
11481 |
662.0 |
-4.2 |
0.451 |
1 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
50 |
16 |
11481 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
44 |
14 |
11481 |
414.5 |
-0.6 |
0.697 |
4 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
42 |
11 |
11533 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
43 |
12 |
11481 |
391.6 |
-2.9 |
0.391 |
5 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
45 |
14 |
11481 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
41 |
11 |
11533 |
380.2 |
-3.7 |
0.311 |
3 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
39 |
15 |
11481 |
◊ |
B |
x,y-1,z |
1_545 |
41 |
16 |
11533 |
376.0 |
1.4 |
0.784 |
3 |
6 |
0 |
0.000 |
6 |
6 |
|
[V14]A:307 |
27 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
48 |
23 |
11481 |
361.3 |
-5.6 |
0.177 |
5 |
0 |
0 |
0.018 |
7 |
|
[V14]B:306 |
28 |
1 |
536 |
f |
B |
x,y,z |
1_555 |
42 |
21 |
11533 |
346.8 |
-3.2 |
0.228 |
6 |
0 |
0 |
0.018 |
Average: |
354.0 |
-4.4 |
0.203 |
6 |
0 |
0 |
0.018 |
7 |
8 |
|
B |
36 |
11 |
11533 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
32 |
10 |
11533 |
306.0 |
-2.0 |
0.422 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
B |
24 |
6 |
11533 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
7 |
11481 |
206.3 |
0.9 |
0.758 |
3 |
2 |
0 |
0.000 |
9 |
10 |
|
[CIT]B:302 |
10 |
1 |
299 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
11533 |
124.9 |
-0.9 |
0.202 |
4 |
0 |
0 |
0.006 |
10 |
11 |
|
[PEG]A:302 |
7 |
1 |
266 |
◊ |
B |
x,y-1,z |
1_545 |
18 |
4 |
11533 |
124.2 |
2.4 |
0.350 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:304 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
11481 |
105.9 |
3.6 |
0.474 |
4 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]A:305 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
11481 |
97.6 |
3.3 |
0.542 |
4 |
0 |
0 |
0.000 |
13 |
14 |
|
B |
10 |
4 |
11533 |
◊ |
A |
x-1,y+1,z |
1_465 |
13 |
5 |
11481 |
97.6 |
-1.2 |
0.357 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[PEG]A:302 |
7 |
1 |
266 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11481 |
95.9 |
1.9 |
0.300 |
2 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:303 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
11481 |
88.8 |
2.1 |
0.284 |
3 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]A:306 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11481 |
87.7 |
1.5 |
0.226 |
5 |
0 |
0 |
0.002 |
17 |
18 |
|
[EDO]B:304 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
8 |
11533 |
79.4 |
2.2 |
0.266 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]B:303 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
11481 |
70.6 |
2.1 |
0.532 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]B:305 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11533 |
69.4 |
1.3 |
0.761 |
2 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]A:303 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11533 |
59.1 |
0.9 |
0.571 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]B:303 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
11533 |
52.3 |
1.2 |
0.244 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
A |
5 |
2 |
11481 |
◊ |
[EDO]B:304 |
x,y-1,z |
1_545 |
3 |
1 |
185 |
37.7 |
1.3 |
0.951 |
1 |
0 |
0 |
0.000 |
23 |
24 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
11481 |
35.3 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.060 |
25 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
11533 |
34.5 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
34.9 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.060 |
24 |
26 |
|
[V14]B:306 |
5 |
1 |
536 |
cf |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.8 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.033 |
27 |
|
[V14]A:307 |
5 |
1 |
547 |
cf |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
32.5 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.033 |
25 |
28 |
|
[EDO]B:305 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
11481 |
27.5 |
0.8 |
0.798 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
A |
1 |
1 |
11481 |
f |
[EDO]B:304 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
185 |
25.8 |
0.4 |
0.284 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
[CIT]B:302 |
1 |
1 |
299 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
11481 |
17.0 |
0.3 |
0.499 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[EDO]A:306 |
1 |
1 |
187 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
11481 |
3.6 |
0.1 |
0.864 |
0 |
0 |
0 |
0.000 |
|