| ## |
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 |
183 |
51 |
11379 |
◊ |
H |
x,y,z |
1_555 |
173 |
52 |
11337 |
1646.4 |
-24.4 |
0.080 |
16 |
3 |
0 |
0.688 |
2 |
|
H |
103 |
35 |
11337 |
◊ |
H |
x,-y,-z |
2_555 |
103 |
35 |
11337 |
980.7 |
-15.4 |
0.272 |
12 |
4 |
0 |
0.603 |
3 |
|
M |
51 |
11 |
1607 |
◊ |
H |
x,y,z |
1_555 |
77 |
20 |
11337 |
525.4 |
-6.7 |
0.425 |
8 |
0 |
0 |
0.545 |
4 |
|
L |
44 |
16 |
11379 |
◊ |
H |
x-1,y,z |
1_455 |
39 |
16 |
11337 |
400.1 |
-2.1 |
0.646 |
3 |
0 |
0 |
0.000 |
5 |
|
H |
33 |
11 |
11337 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
28 |
13 |
11379 |
294.3 |
-1.5 |
0.489 |
3 |
0 |
0 |
0.000 |
6 |
|
M |
22 |
4 |
1607 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
35 |
9 |
11379 |
250.5 |
-2.0 |
0.501 |
6 |
0 |
0 |
0.000 |
7 |
|
M |
30 |
8 |
1607 |
◊ |
L |
x,y,z |
1_555 |
28 |
10 |
11379 |
249.9 |
2.9 |
0.934 |
7 |
4 |
0 |
0.015 |
8 |
|
L |
24 |
8 |
11379 |
◊ |
L |
x,-y,-z |
2_555 |
24 |
8 |
11379 |
230.1 |
-2.3 |
0.358 |
0 |
0 |
0 |
0.021 |
9 |
|
L |
24 |
12 |
11379 |
◊ |
L |
x,-y+1,-z |
2_565 |
24 |
12 |
11379 |
203.1 |
1.3 |
0.806 |
4 |
0 |
0 |
0.000 |
10 |
|
[EPE]H:302 |
13 |
1 |
407 |
◊ |
H |
x,y,z |
1_555 |
24 |
8 |
11337 |
178.1 |
5.9 |
0.102 |
2 |
0 |
0 |
0.000 |
11 |
|
H |
24 |
9 |
11337 |
◊ |
L |
-x,y-1/2,-z-1/2 |
3_544 |
17 |
5 |
11379 |
165.6 |
1.3 |
0.853 |
3 |
0 |
0 |
0.000 |
12 |
|
L |
16 |
7 |
11379 |
x |
L |
x-1,y,z |
1_455 |
12 |
3 |
11379 |
134.0 |
-0.9 |
0.473 |
2 |
0 |
0 |
0.000 |
13 |
|
[EDO]H:305 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
18 |
8 |
11337 |
112.0 |
3.6 |
0.537 |
2 |
0 |
0 |
0.000 |
14 |
|
[ACT]L:303 |
4 |
1 |
183 |
f |
L |
x,y,z |
1_555 |
15 |
10 |
11379 |
108.1 |
-1.1 |
0.572 |
1 |
0 |
0 |
0.034 |
15 |
|
L |
15 |
6 |
11379 |
x |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
12 |
3 |
11379 |
103.9 |
-1.0 |
0.460 |
0 |
0 |
0 |
0.000 |
16 |
|
[EDO]H:306 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
14 |
8 |
11337 |
96.9 |
2.6 |
0.531 |
4 |
0 |
0 |
0.000 |
17 |
|
[EDO]L:302 |
4 |
1 |
184 |
◊ |
M |
x,y,z |
1_555 |
14 |
5 |
1607 |
87.5 |
1.9 |
0.286 |
1 |
0 |
0 |
0.000 |
18 |
|
L |
10 |
4 |
11379 |
x |
L |
-x-1,-y+1/2,z-1/2 |
4_454 |
8 |
4 |
11379 |
82.2 |
0.9 |
0.782 |
4 |
0 |
0 |
0.000 |
19 |
|
[ACT]H:308 |
4 |
1 |
182 |
f |
H |
x,y,z |
1_555 |
15 |
7 |
11337 |
80.9 |
-0.7 |
0.693 |
2 |
0 |
0 |
0.090 |
20 |
|
[EDO]H:304 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
16 |
7 |
11337 |
78.2 |
1.6 |
0.287 |
0 |
0 |
0 |
0.000 |
21 |
|
[EDO]H:303 |
4 |
1 |
184 |
f |
H |
x,-y,-z |
2_555 |
12 |
4 |
11337 |
74.1 |
1.5 |
0.850 |
5 |
0 |
0 |
0.038 |
22 |
|
[ACT]H:309 |
4 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
7 |
5 |
11337 |
73.1 |
-0.9 |
0.672 |
0 |
0 |
0 |
0.019 |
23 |
|
[ACT]H:309 |
4 |
1 |
182 |
f |
L |
x,y,z |
1_555 |
14 |
4 |
11379 |
72.9 |
-1.0 |
0.528 |
1 |
0 |
0 |
0.031 |
24 |
|
L |
12 |
5 |
11379 |
◊ |
H |
x,-y,-z |
2_555 |
4 |
2 |
11337 |
70.7 |
0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]H:304 |
4 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
12 |
5 |
11379 |
70.3 |
1.5 |
0.245 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]H:307 |
3 |
1 |
182 |
◊ |
L |
x,y,z |
1_555 |
13 |
6 |
11379 |
69.5 |
2.8 |
0.638 |
1 |
0 |
0 |
0.000 |
27 |
|
[ACT]H:308 |
4 |
1 |
182 |
◊ |
L |
x,y,z |
1_555 |
16 |
5 |
11379 |
69.0 |
-0.8 |
0.566 |
1 |
0 |
0 |
0.028 |
28 |
|
[CL]H:301 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
11337 |
65.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.558 |
29 |
|
[EPE]H:302 |
5 |
1 |
407 |
f |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
9 |
3 |
11379 |
64.4 |
0.2 |
0.055 |
1 |
0 |
0 |
0.005 |
30 |
|
[EDO]H:303 |
3 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
11337 |
60.7 |
1.5 |
0.274 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]L:302 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
7 |
3 |
11379 |
57.8 |
0.8 |
0.702 |
2 |
0 |
0 |
0.002 |
32 |
|
H |
12 |
5 |
11337 |
◊ |
L |
-x,-y+1/2,z-1/2 |
4_554 |
6 |
1 |
11379 |
56.2 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
33 |
|
L |
5 |
1 |
11379 |
◊ |
H |
-x-1,-y+1/2,z-1/2 |
4_454 |
4 |
1 |
11337 |
50.3 |
-0.3 |
0.508 |
1 |
0 |
0 |
0.000 |
34 |
|
[EPE]H:302 |
4 |
1 |
407 |
◊ |
L |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
5 |
11379 |
49.2 |
1.6 |
0.316 |
0 |
0 |
0 |
0.000 |
35 |
|
[EDO]H:307 |
3 |
1 |
182 |
◊ |
M |
x,y,z |
1_555 |
7 |
2 |
1607 |
42.1 |
1.0 |
0.791 |
0 |
0 |
0 |
0.000 |
36 |
|
[EDO]H:307 |
4 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
11337 |
39.6 |
0.9 |
0.757 |
0 |
0 |
0 |
0.000 |
37 |
|
[MG]L:301 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
7 |
3 |
11379 |
35.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.083 |
38 |
|
H |
3 |
1 |
11337 |
◊ |
L |
-x-1,-y+1/2,z-1/2 |
4_454 |
2 |
1 |
11379 |
25.6 |
-0.0 |
0.386 |
0 |
0 |
0 |
0.000 |
39 |
|
L |
2 |
2 |
11379 |
◊ |
H |
x-1,-y,-z |
2_455 |
5 |
2 |
11337 |
21.0 |
0.4 |
0.690 |
0 |
0 |
0 |
0.000 |
40 |
|
[MG]L:301 |
1 |
1 |
98 |
◊ |
L |
x-1,y,z |
1_455 |
3 |
1 |
11379 |
19.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[MG]L:301 |
1 |
1 |
98 |
◊ |
H |
x-1,y,z |
1_455 |
4 |
3 |
11337 |
15.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[CL]H:301 |
1 |
1 |
125 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
3 |
2 |
11379 |
14.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]H:307 |
1 |
1 |
182 |
f |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
11379 |
12.7 |
0.3 |
0.912 |
0 |
0 |
0 |
0.000 |
44 |
|
H |
2 |
1 |
11337 |
x |
H |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
11337 |
10.6 |
0.6 |
0.889 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]L:302 |
1 |
1 |
184 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
11379 |
9.1 |
0.4 |
0.896 |
0 |
0 |
0 |
0.000 |
46 |
|
H |
2 |
1 |
11337 |
x |
H |
-x,-y+1/2,z-1/2 |
4_554 |
1 |
1 |
11337 |
8.3 |
-0.2 |
0.360 |
0 |
0 |
0 |
0.000 |
|