| ## |
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 |
|
L |
178 |
55 |
11385 |
◊ |
H |
x,y,z |
1_555 |
177 |
51 |
11354 |
1613.1 |
-22.4 |
0.070 |
13 |
1 |
0 |
0.000 |
2 |
|
C |
85 |
21 |
12059 |
◊ |
C |
-x,y,-z+1 |
2_556 |
84 |
21 |
12059 |
782.3 |
-8.5 |
0.270 |
10 |
4 |
0 |
0.000 |
3 |
|
C |
52 |
17 |
12059 |
x |
C |
x-1/2,y+1/2,z |
3_455 |
52 |
20 |
12059 |
504.9 |
-4.3 |
0.376 |
2 |
0 |
0 |
0.000 |
4 |
|
H |
49 |
11 |
11354 |
◊ |
C |
x,y,z |
1_555 |
56 |
15 |
12059 |
459.7 |
-1.6 |
0.705 |
6 |
2 |
0 |
0.000 |
5 |
|
L |
36 |
11 |
11385 |
◊ |
C |
x,y,z |
1_555 |
33 |
10 |
12059 |
315.6 |
-0.2 |
0.619 |
7 |
0 |
0 |
0.000 |
6 |
|
L |
29 |
9 |
11385 |
◊ |
H |
-x-1/2,y-1/2,-z |
4_445 |
22 |
8 |
11354 |
244.8 |
0.3 |
0.705 |
2 |
0 |
0 |
0.000 |
7 |
|
H |
22 |
9 |
11354 |
◊ |
H |
-x,y,-z |
2_555 |
22 |
9 |
11354 |
227.0 |
0.1 |
0.798 |
6 |
0 |
0 |
0.000 |
8 |
|
[PG4]C:406 |
11 |
1 |
374 |
f |
C |
x,y,z |
1_555 |
23 |
6 |
12059 |
154.6 |
2.5 |
0.283 |
2 |
0 |
0 |
0.000 |
9 |
|
[EDO]H:301 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
16 |
9 |
11354 |
115.3 |
3.5 |
0.676 |
2 |
0 |
0 |
0.000 |
10 |
|
[EDO]C:405 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
12059 |
100.6 |
2.9 |
0.459 |
3 |
0 |
0 |
0.000 |
11 |
|
[EDO]L:308 |
4 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
11 |
6 |
11385 |
99.6 |
3.5 |
0.500 |
4 |
0 |
0 |
0.000 |
12 |
|
[EDO]L:303 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
12 |
5 |
11385 |
92.4 |
2.1 |
0.251 |
1 |
0 |
0 |
0.000 |
13 |
|
[EDO]H:302 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
15 |
5 |
11354 |
91.1 |
2.3 |
0.309 |
4 |
0 |
0 |
0.000 |
14 |
|
[EDO]L:307 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
16 |
7 |
11385 |
89.1 |
2.5 |
0.275 |
0 |
0 |
0 |
0.000 |
15 |
|
[EDO]H:305 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
17 |
6 |
11354 |
86.9 |
2.1 |
0.303 |
3 |
0 |
0 |
0.000 |
16 |
|
[EDO]H:304 |
4 |
1 |
182 |
f |
H |
x,y,z |
1_555 |
14 |
6 |
11354 |
86.8 |
1.5 |
0.275 |
2 |
0 |
0 |
0.000 |
17 |
|
L |
12 |
4 |
11385 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
13 |
5 |
12059 |
85.7 |
1.6 |
0.843 |
1 |
0 |
0 |
0.000 |
18 |
|
[EDO]L:304 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
11 |
3 |
11385 |
85.2 |
1.5 |
0.164 |
0 |
0 |
0 |
0.000 |
19 |
|
[EDO]H:303 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
16 |
6 |
11354 |
80.3 |
1.9 |
0.303 |
2 |
0 |
0 |
0.000 |
20 |
|
[EDO]H:308 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
14 |
5 |
11354 |
77.5 |
2.3 |
0.306 |
3 |
0 |
0 |
0.000 |
21 |
|
[EDO]C:404 |
4 |
1 |
185 |
f |
C |
-x,y,-z+1 |
2_556 |
16 |
6 |
12059 |
76.7 |
1.5 |
0.225 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]C:404 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
12059 |
76.4 |
1.5 |
0.225 |
0 |
0 |
0 |
0.000 |
23 |
|
[EDO]H:307 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
11354 |
76.2 |
1.9 |
0.298 |
0 |
0 |
0 |
0.000 |
24 |
|
[EDO]L:302 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
12 |
6 |
11385 |
75.9 |
1.8 |
0.235 |
1 |
0 |
0 |
0.000 |
25 |
|
[EDO]H:304 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
12059 |
74.0 |
2.3 |
0.290 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]H:306 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
10 |
6 |
11354 |
71.5 |
1.5 |
0.784 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]L:305 |
4 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
7 |
4 |
11385 |
62.7 |
0.5 |
0.461 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]L:301 |
3 |
1 |
182 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
11385 |
62.6 |
2.0 |
0.238 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]L:301 |
4 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
11354 |
61.8 |
1.9 |
0.299 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]L:306 |
3 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
7 |
4 |
11385 |
46.4 |
0.9 |
0.709 |
1 |
0 |
0 |
0.000 |
31 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
12059 |
41.2 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.106 |
32 |
|
[EDO]L:306 |
2 |
1 |
185 |
f |
[EDO]L:301 |
x,y,z |
1_555 |
2 |
1 |
182 |
33.8 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]L:307 |
3 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
11354 |
30.2 |
0.9 |
0.892 |
0 |
0 |
0 |
0.000 |
34 |
|
[EDO]L:303 |
2 |
1 |
185 |
f |
[EDO]L:302 |
x,y,z |
1_555 |
2 |
1 |
184 |
25.8 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
35 |
|
[EDO]C:405 |
3 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
4 |
1 |
11385 |
22.3 |
0.8 |
0.878 |
0 |
0 |
0 |
0.000 |
36 |
|
[EDO]L:305 |
2 |
1 |
186 |
f |
[EDO]L:304 |
x,y,z |
1_555 |
3 |
1 |
185 |
20.4 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]H:306 |
2 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
4 |
2 |
11385 |
19.3 |
0.5 |
0.835 |
1 |
0 |
0 |
0.000 |
38 |
|
[EDO]L:308 |
3 |
1 |
184 |
f |
C |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
12059 |
18.0 |
0.9 |
0.991 |
1 |
0 |
0 |
0.000 |
39 |
|
[EDO]L:306 |
2 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
3 |
3 |
11354 |
13.9 |
0.5 |
0.855 |
0 |
0 |
0 |
0.000 |
40 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
[CA]C:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.027 |
41 |
|
L |
1 |
1 |
11385 |
f |
[EDO]H:305 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
186 |
8.5 |
0.4 |
0.958 |
0 |
0 |
0 |
0.000 |
42 |
|
[EDO]L:307 |
1 |
1 |
185 |
f |
[EDO]H:306 |
x,y,z |
1_555 |
1 |
1 |
185 |
7.1 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
43 |
|
H |
2 |
1 |
11354 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
12059 |
4.0 |
0.2 |
0.772 |
0 |
0 |
0 |
0.000 |
|