## |
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 |
|
F |
153 |
44 |
7406 |
◊ |
C |
x,y,z |
1_555 |
147 |
37 |
11189 |
1369.6 |
-9.9 |
0.394 |
29 |
1 |
0 |
1.000 |
2 |
|
D |
101 |
26 |
7209 |
◊ |
C |
x,y,z |
1_555 |
100 |
30 |
11189 |
951.3 |
-9.2 |
0.377 |
11 |
5 |
0 |
1.000 |
3 |
|
C |
63 |
21 |
11189 |
x |
C |
-y-1,x-y,z+1/3 |
2_455 |
69 |
26 |
11189 |
617.0 |
-0.4 |
0.707 |
4 |
0 |
0 |
0.000 |
4 |
|
D |
59 |
19 |
7209 |
◊ |
D |
x-y,-y,-z-1/3 |
5_554 |
59 |
19 |
7209 |
595.3 |
-6.2 |
0.479 |
6 |
2 |
0 |
0.000 |
5 |
|
F |
50 |
17 |
7406 |
◊ |
F |
y,x,-z |
4_555 |
49 |
17 |
7406 |
485.7 |
-0.0 |
0.824 |
8 |
8 |
0 |
0.000 |
6 |
|
D |
12 |
3 |
7209 |
◊ |
C |
x-y,-y,-z-1/3 |
5_554 |
16 |
7 |
11189 |
133.6 |
-2.0 |
0.334 |
1 |
0 |
0 |
0.000 |
7 |
|
F |
17 |
6 |
7406 |
◊ |
F |
y,x,-z-1 |
4_554 |
17 |
6 |
7406 |
130.2 |
0.4 |
0.779 |
2 |
0 |
0 |
0.000 |
8 |
|
[EDO]D:127 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
7209 |
122.6 |
3.5 |
0.492 |
2 |
0 |
0 |
0.000 |
9 |
|
F |
13 |
5 |
7406 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
7209 |
119.7 |
-1.5 |
0.380 |
1 |
0 |
0 |
0.081 |
10 |
|
[PEG]C:214 |
7 |
1 |
257 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
11189 |
119.1 |
2.9 |
0.350 |
1 |
0 |
0 |
0.000 |
11 |
|
[EDO]C:211 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
24 |
13 |
11189 |
117.5 |
3.4 |
0.678 |
2 |
0 |
0 |
0.000 |
12 |
|
[EDO]C:210 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
11189 |
114.7 |
2.4 |
0.394 |
2 |
0 |
0 |
0.000 |
13 |
|
[EDO]C:206 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
11189 |
113.9 |
2.5 |
0.382 |
1 |
0 |
0 |
0.000 |
14 |
|
F |
11 |
3 |
7406 |
◊ |
C |
-y-1,x-y,z+1/3 |
2_455 |
15 |
3 |
11189 |
104.9 |
0.6 |
0.762 |
0 |
2 |
0 |
0.000 |
15 |
|
[EDO]F:155 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
16 |
6 |
7406 |
93.5 |
2.7 |
0.479 |
5 |
0 |
0 |
0.000 |
16 |
|
[EDO]F:5 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
13 |
7 |
7406 |
86.1 |
1.6 |
0.222 |
0 |
0 |
0 |
0.000 |
17 |
|
[EDO]C:213 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
11189 |
85.2 |
2.5 |
0.423 |
2 |
0 |
0 |
0.000 |
18 |
|
[EDO]C:208 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
11189 |
78.8 |
1.7 |
0.418 |
4 |
0 |
0 |
0.020 |
19 |
|
[EDO]C:207 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
11189 |
72.8 |
2.1 |
0.851 |
3 |
0 |
0 |
0.000 |
20 |
|
[EDO]C:209 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
11189 |
71.2 |
2.0 |
0.227 |
1 |
0 |
0 |
0.000 |
21 |
|
[EDO]F:9 |
3 |
1 |
182 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
7406 |
67.6 |
2.5 |
0.318 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]D:126 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
7209 |
66.9 |
2.4 |
0.318 |
1 |
0 |
0 |
0.000 |
23 |
|
[EDO]C:212 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11189 |
65.3 |
0.9 |
0.709 |
1 |
0 |
0 |
0.000 |
24 |
|
[EDO]D:126 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
11189 |
60.1 |
1.0 |
0.187 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]C:208 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
7406 |
59.0 |
1.6 |
0.859 |
2 |
0 |
0 |
0.000 |
26 |
|
[EDO]F:9 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
11189 |
55.4 |
0.9 |
0.513 |
0 |
0 |
0 |
0.000 |
27 |
|
C |
6 |
3 |
11189 |
◊ |
D |
-x-1,-x+y-1,-z+1/3 |
6_445 |
6 |
2 |
7209 |
52.7 |
0.3 |
0.609 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]F:155 |
3 |
1 |
184 |
◊ |
F |
y,x,-z |
4_555 |
8 |
3 |
7406 |
52.6 |
1.5 |
0.894 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]C:212 |
3 |
1 |
184 |
◊ |
C |
-y-1,x-y,z+1/3 |
2_455 |
8 |
3 |
11189 |
50.4 |
1.8 |
0.280 |
0 |
0 |
0 |
0.000 |
30 |
|
D |
5 |
2 |
7209 |
◊ |
C |
-y-1,x-y,z+1/3 |
2_455 |
8 |
4 |
11189 |
48.6 |
-0.2 |
0.605 |
0 |
0 |
0 |
0.000 |
31 |
|
[PEG]C:214 |
3 |
1 |
257 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
7209 |
38.3 |
1.3 |
0.446 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]C:212 |
2 |
1 |
184 |
◊ |
[EDO]C:209 |
-y-1,x-y,z+1/3 |
2_455 |
3 |
1 |
185 |
38.0 |
1.7 |
0.707 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]D:126 |
4 |
1 |
184 |
f |
D |
x-y,-y,-z-1/3 |
5_554 |
5 |
3 |
7209 |
37.4 |
0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
34 |
|
C |
7 |
2 |
11189 |
◊ |
F |
-y-1,x-y,z+1/3 |
2_455 |
5 |
2 |
7406 |
36.1 |
-0.2 |
0.503 |
0 |
0 |
0 |
0.000 |
35 |
|
[EDO]C:213 |
2 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
7209 |
35.9 |
0.5 |
0.745 |
0 |
0 |
0 |
0.000 |
36 |
|
[PEG]C:214 |
4 |
1 |
257 |
◊ |
[EDO]C:207 |
x,y,z |
1_555 |
3 |
1 |
184 |
35.4 |
1.9 |
0.383 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
6 |
2 |
11189 |
◊ |
[EDO]C:209 |
-y-1,x-y,z+1/3 |
2_455 |
2 |
1 |
185 |
33.4 |
0.7 |
0.795 |
0 |
0 |
0 |
0.000 |
38 |
|
[EDO]C:211 |
3 |
1 |
184 |
f |
[EDO]C:210 |
x,y,z |
1_555 |
3 |
1 |
185 |
31.8 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]C:207 |
2 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
7209 |
31.3 |
0.9 |
0.927 |
1 |
0 |
0 |
0.000 |
40 |
|
[PEG]C:214 |
2 |
1 |
257 |
f |
[EDO]C:213 |
x,y,z |
1_555 |
4 |
1 |
184 |
27.9 |
0.9 |
0.571 |
2 |
0 |
0 |
0.000 |
41 |
|
[EDO]F:9 |
2 |
1 |
182 |
f |
[EDO]C:208 |
x,y,z |
1_555 |
3 |
1 |
185 |
27.1 |
1.6 |
0.707 |
0 |
0 |
0 |
0.000 |
42 |
|
[EDO]C:207 |
2 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
7406 |
24.8 |
0.3 |
0.735 |
1 |
0 |
0 |
0.010 |
43 |
|
[EDO]C:209 |
3 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
7406 |
17.4 |
0.3 |
0.743 |
0 |
0 |
0 |
0.000 |
44 |
|
[EDO]C:210 |
2 |
1 |
185 |
f |
C |
-y-1,x-y,z+1/3 |
2_455 |
3 |
3 |
11189 |
9.4 |
0.4 |
0.806 |
0 |
0 |
0 |
0.000 |
45 |
|
C |
1 |
1 |
11189 |
f |
[EDO]F:5 |
-y-1,x-y,z+1/3 |
2_455 |
2 |
1 |
184 |
8.9 |
0.1 |
0.489 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
1 |
1 |
11189 |
◊ |
[PEG]C:214 |
-y-1,x-y,z+1/3 |
2_455 |
1 |
1 |
257 |
7.3 |
0.1 |
0.361 |
0 |
0 |
0 |
0.000 |
47 |
|
[PEG]C:214 |
1 |
1 |
257 |
f |
D |
x-y,-y,-z-1/3 |
5_554 |
1 |
1 |
7209 |
6.9 |
-0.0 |
0.209 |
0 |
0 |
0 |
0.006 |
|