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The most probable conformation obtained from the reverse-mapping is a helix with a pitch length of 15 monomers.
The most probable conformation for the renatured form of xanthan is that of an antiparallel double stranded structure consisting of one such chain folded as a hairpin loop.
Here, we use the ion-trap MS information on the two prevailing peaks obtained combined with a modelling approach to find the most probable conformation of MeHgCys, which may explain the fragmentation behaviour observed.
At the same time, the mean error could be too high for distinguishing carbons C1 6 in case the most probable conformation of the molecule is a priori unknown.
We choose to model all side chains in the most probable conformation; we believe that a reasonable estimate of the side chain's position can be made based on the main chain coordinates and prior knowledge about possible rotamers.
Similar(55)
The most probable L-shaped conformation never exceeds 100% of the covered surface and thus seems as the most probable shape of the pyrene-POSS molecule adsorbed on the MWCNTs surface.
The most probable configuration of MRICD was estimated via computer simulation.
The most probable configuration was reported.
We similarly found that the number of nucleotides wrapped by this mutant was lower than that of the wild type SSB, with N w = 35 nt being the most probable wrapping conformation over the range of tensions assayed.
To this purpose, we developed a structural alphabet (SA): a set of 25 canonical states of four-residue protein fragments (Cα atoms only) describing the most probable local conformations in high-resolution protein structures.
For each residue position, the most likely conformation (buried or exposed) is chosen based on whether that residue pairing is most probable from the buried or exposed beta-pairing tables.
Related(20)
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