## |
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 |
189 |
54 |
11792 |
◊ |
H |
x,y,z |
1_555 |
182 |
55 |
12079 |
1746.6 |
-31.9 |
0.009 |
9 |
1 |
1 |
1.000 |
2 |
|
H |
41 |
10 |
12079 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
37 |
12 |
11792 |
368.5 |
0.5 |
0.748 |
7 |
0 |
0 |
0.000 |
3 |
|
H |
35 |
9 |
12079 |
x |
H |
x-1/2,-y+3/2,-z |
4_465 |
34 |
9 |
12079 |
293.0 |
0.4 |
0.787 |
4 |
1 |
0 |
0.000 |
4 |
|
L |
30 |
10 |
11792 |
x |
L |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
11 |
11792 |
280.1 |
-1.1 |
0.529 |
10 |
0 |
0 |
0.000 |
5 |
|
H |
17 |
6 |
12079 |
x |
H |
x-1/2,-y+1/2,-z |
4_455 |
13 |
7 |
12079 |
141.0 |
-0.7 |
0.475 |
2 |
0 |
0 |
0.000 |
6 |
|
H |
17 |
8 |
12079 |
◊ |
L |
x-1/2,-y+3/2,-z |
4_465 |
13 |
5 |
11792 |
125.8 |
-0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
7 |
|
[EDO]H:303 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
24 |
11 |
12079 |
121.5 |
4.4 |
0.781 |
2 |
0 |
0 |
0.000 |
8 |
|
[EDO]L:307 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
20 |
7 |
11792 |
114.8 |
3.2 |
0.434 |
2 |
0 |
0 |
0.000 |
9 |
|
[EDO]L:301 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
18 |
10 |
11792 |
109.5 |
3.2 |
0.429 |
4 |
0 |
0 |
0.000 |
10 |
|
[EDO]L:306 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
16 |
9 |
11792 |
106.1 |
3.4 |
0.458 |
2 |
0 |
0 |
0.000 |
11 |
|
[EDO]H:302 |
4 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
20 |
6 |
12079 |
102.9 |
3.3 |
0.485 |
0 |
0 |
0 |
0.000 |
12 |
|
L |
13 |
4 |
11792 |
◊ |
H |
x,y-1,z |
1_545 |
9 |
4 |
12079 |
101.2 |
-1.4 |
0.289 |
0 |
0 |
0 |
0.000 |
13 |
|
[EDO]H:301 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
13 |
8 |
12079 |
99.5 |
2.8 |
0.507 |
4 |
0 |
0 |
0.000 |
14 |
|
[EDO]L:304 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
17 |
6 |
11792 |
98.2 |
2.3 |
0.430 |
3 |
0 |
0 |
0.000 |
15 |
|
[EDO]H:306 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
12079 |
98.2 |
3.1 |
0.545 |
5 |
0 |
0 |
0.000 |
16 |
|
[EDO]L:302 |
4 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
21 |
11 |
11792 |
97.9 |
2.5 |
0.388 |
0 |
0 |
0 |
0.000 |
17 |
|
[EDO]H:305 |
4 |
1 |
182 |
f |
H |
x,y,z |
1_555 |
15 |
5 |
12079 |
94.5 |
2.6 |
0.496 |
1 |
0 |
0 |
0.000 |
18 |
|
[EDO]H:307 |
4 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
20 |
8 |
12079 |
93.1 |
2.9 |
0.513 |
2 |
0 |
0 |
0.000 |
19 |
|
L |
11 |
4 |
11792 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
1 |
12079 |
91.1 |
-0.4 |
0.551 |
1 |
0 |
0 |
0.000 |
20 |
|
[EDO]H:308 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
14 |
7 |
12079 |
83.2 |
2.0 |
0.444 |
1 |
0 |
0 |
0.000 |
21 |
|
[EDO]H:304 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
13 |
6 |
12079 |
78.0 |
2.1 |
0.286 |
2 |
0 |
0 |
0.000 |
22 |
|
[EDO]H:308 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
13 |
6 |
11792 |
71.5 |
1.1 |
0.693 |
1 |
0 |
0 |
0.000 |
23 |
|
[EDO]L:305 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
11 |
5 |
11792 |
69.4 |
1.7 |
0.228 |
2 |
0 |
0 |
0.000 |
24 |
|
[EDO]L:303 |
3 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
10 |
6 |
11792 |
66.9 |
2.3 |
0.286 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]H:310 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
12079 |
61.6 |
2.1 |
0.294 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]L:305 |
3 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
12079 |
57.2 |
1.5 |
0.249 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]H:309 |
4 |
1 |
181 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
12079 |
56.0 |
1.4 |
0.762 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]L:303 |
3 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
12079 |
51.2 |
1.3 |
0.276 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]H:304 |
4 |
1 |
184 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
11792 |
49.7 |
1.2 |
0.468 |
0 |
0 |
0 |
0.000 |
30 |
|
[EDO]L:302 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
7 |
4 |
12079 |
47.9 |
0.4 |
0.686 |
1 |
0 |
0 |
0.023 |
31 |
|
[EDO]H:309 |
3 |
1 |
181 |
f |
L |
x,y,z |
1_555 |
4 |
2 |
11792 |
43.1 |
1.0 |
0.661 |
1 |
0 |
0 |
0.000 |
32 |
|
[EDO]H:310 |
3 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
5 |
2 |
11792 |
37.9 |
0.7 |
0.608 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]L:305 |
3 |
1 |
185 |
f |
[EDO]H:310 |
x,y,z |
1_555 |
3 |
1 |
185 |
35.2 |
1.6 |
1.000 |
1 |
0 |
0 |
0.000 |
34 |
|
[EDO]L:304 |
3 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
7 |
4 |
12079 |
31.0 |
1.0 |
0.893 |
1 |
0 |
0 |
0.000 |
35 |
|
[EDO]H:304 |
2 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
3 |
1 |
11792 |
28.6 |
0.6 |
0.898 |
1 |
0 |
0 |
0.000 |
36 |
|
[EDO]H:302 |
2 |
1 |
182 |
f |
L |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
11792 |
23.2 |
0.4 |
0.282 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]L:304 |
2 |
1 |
185 |
f |
[EDO]L:303 |
x,y,z |
1_555 |
2 |
1 |
184 |
20.1 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[EDO]H:310 |
2 |
1 |
185 |
f |
[EDO]H:309 |
x,y,z |
1_555 |
2 |
1 |
181 |
15.8 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
39 |
|
L |
3 |
1 |
11792 |
x |
L |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
11792 |
14.7 |
0.3 |
0.804 |
0 |
0 |
0 |
0.000 |
40 |
|
H |
2 |
1 |
12079 |
◊ |
L |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
11792 |
9.4 |
-0.2 |
0.362 |
0 |
0 |
0 |
0.000 |
41 |
|
L |
1 |
1 |
11792 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
12079 |
0.4 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
|