## |
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 |
177 |
48 |
10618 |
◊ |
A |
x,y,z |
1_555 |
186 |
52 |
10703 |
1605.3 |
-25.7 |
0.316 |
12 |
0 |
0 |
1.000 |
2 |
|
H |
173 |
48 |
11082 |
◊ |
L |
x,y,z |
1_555 |
197 |
55 |
11195 |
1580.6 |
-24.0 |
0.144 |
13 |
2 |
0 |
1.000 |
3 |
|
D |
164 |
47 |
10339 |
◊ |
C |
x,y,z |
1_555 |
167 |
49 |
10643 |
1432.9 |
-22.8 |
0.272 |
10 |
0 |
0 |
1.000 |
Average: |
1539.6 |
-24.2 |
0.244 |
12 |
1 |
0 |
1.000 |
2 |
4 |
|
D |
42 |
14 |
10339 |
◊ |
L |
-x+3,-y+2,z-1/2 |
2_874 |
37 |
15 |
11195 |
401.7 |
1.8 |
0.949 |
8 |
1 |
0 |
0.000 |
3 |
5 |
|
D |
41 |
9 |
10339 |
◊ |
L |
x,y,z |
1_555 |
38 |
12 |
11195 |
353.9 |
-3.1 |
0.574 |
4 |
0 |
0 |
0.000 |
6 |
|
H |
32 |
7 |
11082 |
◊ |
A |
-y+2,x-1,z-1/4 |
3_744 |
29 |
9 |
10703 |
293.5 |
-1.8 |
0.623 |
6 |
0 |
0 |
0.000 |
7 |
|
C |
29 |
8 |
10643 |
◊ |
B |
-y+2,x-1,z-1/4 |
3_744 |
28 |
7 |
10618 |
288.4 |
-2.6 |
0.590 |
2 |
0 |
0 |
0.000 |
Average: |
311.9 |
-2.5 |
0.596 |
4 |
0 |
0 |
0.000 |
4 |
8 |
|
H |
37 |
15 |
11082 |
◊ |
B |
x,y,z |
1_555 |
41 |
16 |
10618 |
348.0 |
-5.0 |
0.446 |
0 |
0 |
0 |
0.000 |
5 |
9 |
|
C |
24 |
8 |
10643 |
◊ |
A |
-y+2,x-1,z-1/4 |
3_744 |
30 |
10 |
10703 |
259.0 |
-2.6 |
0.448 |
2 |
0 |
0 |
0.000 |
10 |
|
L |
27 |
10 |
11195 |
◊ |
A |
-y+2,x-1,z-1/4 |
3_744 |
25 |
9 |
10703 |
253.1 |
-2.6 |
0.483 |
3 |
0 |
0 |
0.000 |
11 |
|
L |
24 |
8 |
11195 |
◊ |
C |
x,y,z |
1_555 |
29 |
10 |
10643 |
240.5 |
-2.6 |
0.450 |
1 |
0 |
0 |
0.000 |
Average: |
250.9 |
-2.6 |
0.461 |
2 |
0 |
0 |
0.000 |
6 |
12 |
|
[PEG]L:303 |
6 |
1 |
244 |
f |
L |
x,y,z |
1_555 |
22 |
11 |
11195 |
146.3 |
2.3 |
0.330 |
2 |
0 |
0 |
0.000 |
7 |
13 |
|
[PEG]L:301 |
6 |
1 |
251 |
◊ |
L |
x,y,z |
1_555 |
18 |
7 |
11195 |
117.9 |
2.2 |
0.283 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
B |
19 |
8 |
10618 |
◊ |
L |
x,y,z |
1_555 |
12 |
5 |
11195 |
108.7 |
-0.2 |
0.753 |
1 |
0 |
0 |
0.000 |
15 |
|
H |
11 |
6 |
11082 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
10703 |
54.8 |
-0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
Average: |
81.7 |
-0.2 |
0.722 |
1 |
0 |
0 |
0.000 |
9 |
16 |
|
[EDO]H:304 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
15 |
8 |
11082 |
101.4 |
3.3 |
0.527 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
[EDO]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
10618 |
101.2 |
2.7 |
0.537 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
L |
12 |
7 |
11195 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
10703 |
100.4 |
-1.7 |
0.392 |
1 |
0 |
0 |
0.000 |
12 |
19 |
|
D |
12 |
4 |
10339 |
◊ |
[PEG]L:302 |
-x+3,-y+2,z-1/2 |
2_874 |
6 |
1 |
251 |
92.8 |
1.9 |
0.243 |
2 |
0 |
0 |
0.000 |
13 |
20 |
|
[EDO]H:303 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
11082 |
90.7 |
2.9 |
0.534 |
2 |
0 |
0 |
0.000 |
14 |
21 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10618 |
87.6 |
3.0 |
0.553 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[EDO]H:301 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
13 |
6 |
11082 |
82.1 |
2.2 |
0.447 |
2 |
0 |
0 |
0.000 |
16 |
23 |
|
L |
8 |
3 |
11195 |
x |
L |
-x+3,-y+2,z-1/2 |
2_874 |
12 |
5 |
11195 |
79.9 |
-1.2 |
0.391 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[PEG]L:302 |
6 |
1 |
251 |
◊ |
L |
x,y,z |
1_555 |
11 |
5 |
11195 |
78.5 |
2.2 |
0.246 |
2 |
0 |
0 |
0.000 |
18 |
25 |
|
[EDO]H:305 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
10 |
6 |
10339 |
77.0 |
2.1 |
0.321 |
2 |
0 |
0 |
0.000 |
19 |
26 |
|
[EDO]H:302 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
13 |
6 |
11082 |
75.8 |
2.3 |
0.494 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[EDO]H:301 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
13 |
6 |
11195 |
71.1 |
0.9 |
0.749 |
2 |
0 |
0 |
0.000 |
21 |
28 |
|
[EDO]H:302 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
10 |
3 |
11195 |
67.8 |
1.4 |
0.231 |
2 |
0 |
0 |
0.000 |
22 |
29 |
|
[EDO]C:301 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
10643 |
62.1 |
1.4 |
0.882 |
3 |
0 |
0 |
0.000 |
23 |
30 |
|
[EDO]C:302 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
10643 |
60.1 |
1.1 |
0.644 |
1 |
0 |
0 |
0.000 |
24 |
31 |
|
D |
12 |
5 |
10339 |
◊ |
B |
-x+3,-y+2,z-1/2 |
2_874 |
5 |
3 |
10618 |
59.2 |
-0.3 |
0.655 |
0 |
0 |
0 |
0.005 |
25 |
32 |
|
C |
7 |
3 |
10643 |
◊ |
H |
x,y,z-1 |
1_554 |
5 |
2 |
11082 |
58.5 |
-0.4 |
0.513 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[PEG]L:301 |
5 |
1 |
251 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
10643 |
48.7 |
0.7 |
0.190 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[SO4]D:301 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
10339 |
46.2 |
-4.4 |
0.995 |
2 |
0 |
0 |
0.165 |
28 |
35 |
|
C |
4 |
2 |
10643 |
◊ |
L |
-x+3,-y+2,z-1/2 |
2_874 |
7 |
3 |
11195 |
45.6 |
0.5 |
0.793 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[SO4]D:301 |
4 |
1 |
185 |
◊ |
L |
-x+3,-y+2,z-1/2 |
2_874 |
5 |
2 |
11195 |
44.5 |
-4.7 |
0.923 |
1 |
0 |
0 |
0.000 |
30 |
37 |
|
[EDO]H:305 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
5 |
2 |
11082 |
39.6 |
0.9 |
0.879 |
1 |
0 |
0 |
0.000 |
31 |
38 |
|
[EDO]C:301 |
3 |
1 |
184 |
◊ |
A |
-y+2,x-1,z-1/4 |
3_744 |
8 |
4 |
10703 |
37.5 |
0.7 |
0.814 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[EDO]C:302 |
2 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
10339 |
34.6 |
0.5 |
0.568 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[PEG]L:302 |
1 |
1 |
251 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
10618 |
9.3 |
0.2 |
0.375 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
H |
3 |
2 |
11082 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
10339 |
7.9 |
-0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
[EDO]C:302 |
1 |
1 |
183 |
f |
L |
x,y,z |
1_555 |
2 |
1 |
11195 |
2.2 |
0.0 |
0.733 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
A |
2 |
1 |
10703 |
x |
A |
x,y,z-1 |
1_554 |
1 |
1 |
10703 |
1.7 |
-0.1 |
0.514 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[SO4]D:301 |
1 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
11195 |
1.4 |
-0.1 |
0.832 |
0 |
0 |
0 |
0.000 |
|