| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
405 |
104 |
17856 |
◊ |
A |
x,y,z |
1_555 |
349 |
80 |
14830 |
3481.3 |
-24.4 |
0.265 |
26 |
25 |
0 |
1.000 |
2 |
|
B |
52 |
13 |
17856 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
51 |
14 |
17856 |
458.1 |
0.7 |
0.686 |
0 |
3 |
0 |
0.000 |
3 |
|
B |
25 |
8 |
17856 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
25 |
7 |
14830 |
216.8 |
0.6 |
0.641 |
0 |
5 |
0 |
0.000 |
4 |
|
A |
21 |
5 |
14830 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
26 |
6 |
17856 |
201.8 |
-0.3 |
0.620 |
2 |
5 |
0 |
0.000 |
5 |
|
B |
17 |
7 |
17856 |
◊ |
A |
x,y,z-1 |
1_554 |
22 |
6 |
14830 |
183.8 |
1.3 |
0.787 |
2 |
5 |
0 |
0.000 |
6 |
|
B |
19 |
6 |
17856 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
13 |
5 |
14830 |
148.7 |
-2.1 |
0.301 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
13 |
5 |
17856 |
x |
B |
x,y,z-1 |
1_554 |
22 |
9 |
17856 |
147.1 |
1.8 |
0.816 |
0 |
3 |
0 |
0.000 |
8 |
|
[EDO]A:301 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
14830 |
106.4 |
4.2 |
0.709 |
2 |
0 |
0 |
0.000 |
9 |
|
[PEG]B:401 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
14830 |
106.1 |
2.3 |
0.294 |
0 |
0 |
0 |
0.000 |
10 |
|
[EDO]B:404 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
17856 |
91.8 |
2.9 |
0.592 |
1 |
0 |
0 |
0.000 |
11 |
|
[EDO]B:403 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
17856 |
87.5 |
2.1 |
0.266 |
2 |
0 |
0 |
0.000 |
12 |
|
[EDO]B:407 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
17856 |
86.6 |
2.3 |
0.436 |
0 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:302 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
14830 |
85.7 |
4.1 |
0.585 |
0 |
0 |
0 |
0.000 |
14 |
|
[EDO]B:406 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
14830 |
83.1 |
1.9 |
0.425 |
0 |
0 |
0 |
0.000 |
15 |
|
[PEG]B:401 |
5 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
17856 |
83.0 |
1.2 |
0.274 |
0 |
0 |
0 |
0.000 |
16 |
|
[EDO]B:402 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
17856 |
77.7 |
1.5 |
0.205 |
1 |
0 |
0 |
0.000 |
17 |
|
A |
10 |
5 |
14830 |
x |
A |
x,y,z-1 |
1_554 |
8 |
3 |
14830 |
77.3 |
-0.3 |
0.555 |
0 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:402 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
14830 |
76.1 |
1.7 |
0.793 |
0 |
0 |
0 |
0.000 |
19 |
|
[EDO]B:406 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
17856 |
71.1 |
1.4 |
0.252 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:405 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
17856 |
67.6 |
1.1 |
0.240 |
1 |
0 |
0 |
0.000 |
21 |
|
[EDO]B:405 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
14830 |
63.0 |
1.4 |
0.494 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:302 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
17856 |
60.1 |
1.4 |
0.682 |
1 |
0 |
0 |
0.000 |
23 |
|
B |
4 |
1 |
17856 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
14830 |
48.2 |
-0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
10 |
2 |
14830 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
17856 |
43.7 |
0.5 |
0.733 |
0 |
3 |
0 |
0.000 |
25 |
|
[EDO]B:407 |
2 |
1 |
184 |
f |
[EDO]B:405 |
x,y,z |
1_555 |
2 |
1 |
184 |
25.5 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]B:407 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
14830 |
24.9 |
0.5 |
0.741 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
3 |
1 |
14830 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
14830 |
22.3 |
1.0 |
0.867 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]B:407 |
4 |
1 |
184 |
f |
[EDO]B:404 |
x,y,z |
1_555 |
3 |
1 |
184 |
18.3 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]B:405 |
2 |
1 |
184 |
f |
[EDO]B:404 |
x,y,z |
1_555 |
3 |
1 |
184 |
18.1 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]B:403 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
14830 |
15.6 |
-0.1 |
0.554 |
0 |
0 |
0 |
0.007 |
31 |
|
[EDO]B:403 |
1 |
1 |
184 |
f |
[EDO]B:402 |
x,y,z |
1_555 |
1 |
1 |
184 |
7.8 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]B:404 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
14830 |
2.9 |
0.1 |
0.872 |
0 |
0 |
0 |
0.000 |
|