| ## |
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 |
105 |
31 |
17003 |
◊ |
L |
y,x,-z |
7_555 |
107 |
31 |
17003 |
953.9 |
-6.1 |
0.374 |
5 |
0 |
0 |
0.000 |
2 |
|
L |
55 |
18 |
17003 |
x |
L |
-y+1/2,x-1/2,z-1/4 |
3_544 |
65 |
19 |
17003 |
527.7 |
-1.8 |
0.398 |
1 |
0 |
0 |
0.000 |
3 |
|
L |
35 |
11 |
17003 |
◊ |
L |
y,x,-z-1 |
7_554 |
35 |
11 |
17003 |
276.6 |
-2.3 |
0.427 |
1 |
0 |
0 |
0.010 |
4 |
|
[TCK]L:720 |
17 |
1 |
506 |
cf |
L |
x,y,z |
1_555 |
44 |
13 |
17003 |
255.8 |
0.7 |
0.249 |
5 |
0 |
0 |
0.012 |
5 |
|
[TCK]L:720 |
13 |
1 |
506 |
◊ |
L |
y,x,-z-1 |
7_554 |
18 |
5 |
17003 |
119.5 |
2.6 |
0.425 |
0 |
0 |
0 |
0.000 |
6 |
|
[EDO]L:711 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
18 |
9 |
17003 |
106.0 |
2.8 |
0.432 |
0 |
0 |
0 |
0.000 |
7 |
|
[EDO]L:718 |
4 |
1 |
182 |
◊ |
L |
x,y,z |
1_555 |
15 |
7 |
17003 |
103.9 |
2.6 |
0.380 |
1 |
0 |
0 |
0.000 |
8 |
|
[SO4]L:701 |
5 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
15 |
6 |
17003 |
102.8 |
-13.3 |
0.825 |
3 |
0 |
0 |
0.108 |
9 |
|
[EDO]L:710 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
17 |
7 |
17003 |
100.5 |
2.9 |
0.458 |
1 |
0 |
0 |
0.000 |
10 |
|
[SO4]L:703 |
5 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
15 |
5 |
17003 |
95.9 |
-15.9 |
0.679 |
2 |
0 |
0 |
0.125 |
11 |
|
[EDO]L:709 |
4 |
1 |
182 |
f |
L |
x,y,z |
1_555 |
13 |
6 |
17003 |
95.6 |
3.4 |
0.486 |
0 |
0 |
0 |
0.000 |
12 |
|
[ACT]L:708 |
4 |
1 |
183 |
f |
L |
x,y,z |
1_555 |
16 |
6 |
17003 |
91.8 |
-1.1 |
0.545 |
0 |
0 |
0 |
0.008 |
13 |
|
[EDO]L:712 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
12 |
7 |
17003 |
88.9 |
3.5 |
0.550 |
1 |
0 |
0 |
0.000 |
14 |
|
[K]L:707 |
1 |
1 |
216 |
x |
L |
x,y,z |
1_555 |
11 |
6 |
17003 |
86.9 |
-58.4 |
0.000 |
0 |
0 |
0 |
0.434 |
15 |
|
[EDO]L:716 |
4 |
1 |
183 |
f |
L |
x,y,z |
1_555 |
19 |
7 |
17003 |
86.0 |
2.5 |
0.421 |
0 |
0 |
0 |
0.000 |
16 |
|
[SO4]L:704 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
14 |
7 |
17003 |
84.4 |
-13.6 |
0.755 |
3 |
0 |
0 |
0.111 |
17 |
|
[PB]L:719 |
1 |
1 |
147 |
f |
L |
x,y,z |
1_555 |
16 |
9 |
17003 |
84.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
18 |
|
[EDO]L:714 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
13 |
8 |
17003 |
80.1 |
1.3 |
0.663 |
0 |
0 |
0 |
0.000 |
19 |
|
[EDO]L:713 |
4 |
1 |
183 |
◊ |
L |
y,x,-z |
7_555 |
17 |
7 |
17003 |
78.9 |
2.4 |
0.465 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]L:715 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
12 |
5 |
17003 |
75.9 |
2.1 |
0.294 |
1 |
0 |
0 |
0.000 |
21 |
|
[SO4]L:702 |
5 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
17003 |
73.5 |
-11.7 |
0.584 |
2 |
0 |
0 |
0.094 |
22 |
|
[EDO]L:713 |
4 |
1 |
183 |
f |
L |
x,y,z |
1_555 |
13 |
5 |
17003 |
69.4 |
1.8 |
0.889 |
0 |
0 |
0 |
0.000 |
23 |
|
[EDO]L:717 |
4 |
1 |
182 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
17003 |
68.8 |
2.1 |
0.304 |
0 |
0 |
0 |
0.000 |
24 |
|
[NA]L:706 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
9 |
5 |
17003 |
64.0 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.091 |
25 |
|
[ACT]L:708 |
4 |
1 |
183 |
◊ |
L |
-y+1/2,x-1/2,z-1/4 |
3_544 |
8 |
3 |
17003 |
57.5 |
-0.4 |
0.481 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]L:712 |
4 |
1 |
184 |
◊ |
L |
y,x,-z |
7_555 |
5 |
3 |
17003 |
45.2 |
0.5 |
0.454 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]L:716 |
2 |
1 |
183 |
f |
[SO4]L:704 |
x,y,z |
1_555 |
4 |
1 |
185 |
39.0 |
-3.2 |
0.999 |
0 |
0 |
0 |
0.024 |
28 |
|
L |
5 |
3 |
17003 |
f |
[EDO]L:718 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
2 |
1 |
182 |
33.8 |
0.7 |
0.376 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]L:709 |
4 |
1 |
182 |
f |
[SO4]L:704 |
x,y,z |
1_555 |
4 |
1 |
185 |
31.4 |
-2.8 |
0.999 |
0 |
0 |
0 |
0.021 |
30 |
|
[TCK]L:720 |
3 |
1 |
506 |
x |
[K]L:707 |
x,y,z |
1_555 |
1 |
1 |
216 |
28.8 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.102 |
31 |
|
[EDO]L:716 |
2 |
1 |
183 |
f |
[SO4]L:702 |
x,y,z |
1_555 |
4 |
1 |
184 |
27.6 |
-2.7 |
0.999 |
0 |
0 |
0 |
0.020 |
32 |
|
[SO4]L:701 |
4 |
1 |
184 |
◊ |
L |
y,x,-z |
7_555 |
5 |
4 |
17003 |
25.7 |
-3.4 |
0.676 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]L:712 |
2 |
1 |
184 |
f |
[SO4]L:701 |
x,y,z |
1_555 |
3 |
1 |
184 |
16.5 |
-1.5 |
0.996 |
0 |
0 |
0 |
0.011 |
34 |
|
[EDO]L:713 |
2 |
1 |
183 |
f |
[SO4]L:701 |
x,y,z |
1_555 |
2 |
1 |
184 |
10.3 |
-1.1 |
0.980 |
0 |
0 |
0 |
0.008 |
|