## |
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 |
51 |
16 |
12877 |
◊ |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
65 |
19 |
12831 |
546.2 |
-5.3 |
0.265 |
4 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
48 |
20 |
12877 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
48 |
20 |
12877 |
386.6 |
6.3 |
0.981 |
6 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
48 |
18 |
12877 |
◊ |
A |
-x+2,y,-z |
2_755 |
41 |
15 |
12831 |
385.9 |
-5.4 |
0.200 |
1 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
44 |
20 |
12877 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
12831 |
354.7 |
-2.4 |
0.429 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
34 |
12 |
12877 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
39 |
16 |
12831 |
333.3 |
-1.3 |
0.565 |
4 |
0 |
0 |
0.000 |
6 |
6 |
|
[W45]B:804 |
20 |
1 |
559 |
f |
B |
x,y,z |
1_555 |
39 |
18 |
12877 |
293.7 |
-14.7 |
0.162 |
5 |
0 |
0 |
0.010 |
7 |
7 |
|
[W45]A:804 |
20 |
1 |
559 |
f |
A |
x,y,z |
1_555 |
42 |
18 |
12831 |
289.8 |
-14.1 |
0.208 |
4 |
0 |
0 |
0.010 |
8 |
8 |
|
A |
30 |
8 |
12831 |
◊ |
B |
-x+5/2,y-1/2,-z+1 |
4_746 |
29 |
12 |
12877 |
285.7 |
-0.2 |
0.662 |
2 |
2 |
0 |
0.000 |
9 |
9 |
|
B |
33 |
10 |
12877 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
30 |
9 |
12831 |
277.6 |
-1.0 |
0.544 |
3 |
0 |
0 |
0.000 |
10 |
10 |
|
A |
24 |
9 |
12831 |
x |
A |
x,y-1,z |
1_545 |
19 |
9 |
12831 |
245.1 |
0.4 |
0.571 |
4 |
2 |
0 |
0.000 |
11 |
11 |
|
B |
30 |
14 |
12877 |
x |
B |
x,y-1,z |
1_545 |
21 |
8 |
12877 |
238.6 |
-2.6 |
0.321 |
5 |
0 |
0 |
0.000 |
12 |
12 |
|
[PEG]A:805 |
7 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
27 |
15 |
12831 |
156.7 |
4.0 |
0.460 |
1 |
0 |
0 |
0.000 |
13 |
13 |
|
B |
19 |
5 |
12877 |
◊ |
B |
-x+2,y,-z |
2_755 |
19 |
5 |
12877 |
154.1 |
-0.3 |
0.613 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[W45]A:804 |
13 |
1 |
559 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
12877 |
133.8 |
-3.7 |
0.766 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
[PEG]B:806 |
7 |
1 |
256 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
12877 |
126.9 |
2.9 |
0.349 |
2 |
0 |
0 |
0.000 |
16 |
16 |
|
[K]A:803 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
12831 |
115.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.067 |
17 |
|
[K]B:803 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
12877 |
114.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
114.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.067 |
17 |
18 |
|
[W45]B:804 |
12 |
1 |
559 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
12831 |
113.7 |
-4.6 |
0.748 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[FLC]B:805 |
11 |
1 |
317 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
12877 |
112.4 |
-0.0 |
0.310 |
3 |
0 |
0 |
0.000 |
19 |
20 |
|
A |
12 |
4 |
12831 |
x |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
13 |
5 |
12831 |
100.4 |
-0.9 |
0.428 |
1 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]B:807 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
12877 |
97.2 |
2.3 |
0.403 |
3 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]B:807 |
3 |
1 |
184 |
f |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
5 |
2 |
12831 |
48.8 |
0.2 |
0.426 |
2 |
0 |
0 |
0.000 |
22 |
23 |
|
[ZN]A:801 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
8 |
7 |
12831 |
35.7 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.016 |
24 |
|
[ZN]B:801 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
12877 |
35.5 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
35.6 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.016 |
23 |
25 |
|
[W45]B:804 |
5 |
1 |
559 |
f |
[ZN]B:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.009 |
26 |
|
[W45]A:804 |
5 |
1 |
559 |
f |
[ZN]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
30.7 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.009 |
24 |
27 |
|
[PEG]B:806 |
4 |
1 |
256 |
f |
A |
-x+2,y,-z |
2_755 |
2 |
1 |
12831 |
23.0 |
0.4 |
0.236 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[FLC]B:805 |
1 |
1 |
317 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12831 |
2.6 |
-0.0 |
0.410 |
0 |
0 |
0 |
0.000 |
|