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Implications of the backbone orientation for the performance of organic devices such as transistors and solar cells are also discussed.
Understanding and controlling the molecular features that impart a favourable backbone orientation and facilitate close intermolecular interactions are required to optimise morphology and long-range order for efficient charge transport.
Future designs will involve PLM components that can further stabilize a helical backbone orientation without interfering with binding, as well as the incorporation of bulkier non-polar components at the positiontion.
The β-strand backbone orientation is perpendicular to the fibril axis, which is termed cross-β structure.
Moreover, the backbone orientation around this loop is changed so that this cluster I has one less NH···S H-bond.
To maintain backbone orientation between β-strands, four additional weak native contacts each with ɛ i,j) = 0.25 were defined for residue pairs in the neighborhood of an H-bonded pair.
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Parallel and antiparallel backbone orientations are considered, each yielding two backboned H-bonded pairs.
While the overall accuracy of helix packing prediction was rather low (17‐30% of correct backbone orientations), it was sufficient to constrain ab initio prediction of TM protein structures in ROSETTA [ 45, 49, 50].
The shear induced backbone segment orientation and deformation of the polymeric chromophore diacetylene 4-butoxycarbonylmethylurethane (4BCMU) in semi-dilute solution has been measured with an extended dichroism technique.
This difference was proposed to account in part for the tighter binding of crizotinib to MET vs ALK, along with differences of the backbone peptide orientation at G1269 (ALK) and A1221 (MET) [92].
From such a model, correct positioning of the protein backbone and orientation of the side chains can be expected, allowing reliable conclusion to be made in the design and interpretation of experimental mutation data.
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