The comparison between the crystal structure of our best variant and the crystal structure of the wild-type protein indicates that most of the selected mutations optimize helices and their packing.
May 31 , 1899Moscow, Russia August 8 , 1994Moscow, Russia Leonid Maksimovich Leonov, (born May 19 [May 31, New Style], 1899, Moscow, Russia died Aug. 8, 1994, Moscow) Russian novelist and playwright who was admired for the intricate structure of his best narratives and for his ability to convey the complex moral and spiritual dilemmas faced by his characters.
Figure 1 Chemical structure of the best studied Alternaria mycotoxins: alternariol (A), alternariol monomethylether (B) and tenuazonic acid (C).
The sequence and secondary structure of the best aptamer selected in this study were presented in Figure 1.
Figure S2 shows the secondary structure of the best model of Sirt-1 calculated by DSSP algorithm that evaluates the Φ and ▒ dihedral angles of each residue and the backbone Hydrogen bonds.
To confirm this, the central structure of the best cluster of each of the uncapped simulations was subsequently simulated using molecular dynamics in explicit TIP3P solvent employing the same all atom OPLS force field.
The general structure of the best studied type II MADS domain proteins consists of the conserved MADS and the plant-specific K (keratin-like) domains, which flank the less conserved I (intervening) domain, and the C (carboxy terminal) domains.
On the other hand, the modularity of proteins and the fact that different domains of the same protein may have different functions [ 12] can also lead to wrong functional assignments, for example, when the domain structure of a best database hit is overlooked [ 13].
Figure 5 shows the lowest-energy structure of the best-scoring cluster of the HADDOCK docking run.
The structure of this best-fit model of the TREK-1 pore is shown in Figure 4 along with TPenA docked into its predicted binding site (see also movie in Supplementary data).
