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2004 | 51 | 1 | 137-143
Article title

Conformational properties of N-acetyl-L-alanine N',N'-dimethylamide.

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EN
Abstracts
EN
Ab initio/DFT analysis of the conformational properties of free Ac-Ala-NMe2 (N-acetyl-L-alanine-N',N'-dimethylamide) in terms of the N-H···O, N-H···N, C-H···O hydrogen bonds and Cδ+ = Oδ- dipole attractions was performed. The Ala residue combined with the C-terminal tertiary amide prefers an extended conformation and that characteristic of the (i + 1)th position of the βVIb turn. These can be easily remodelled into a structure compatible with the (i + 1)th position of the βII/βVIa turn. The residue has also the potential to adopt the conformation accommodated at both central positions of the βIII/βIII' turn or the (i + 1)th position of the βI/β'I turn.
Publisher

Year
Volume
51
Issue
1
Pages
137-143
Physical description
Dates
published
2004
received
2003-10-31
revised
2004-02-12
accepted
2004-02-18
Contributors
  • Institute of Chemistry, University of Opole, Opole, Poland
  • Institute of Chemistry, University of Opole, Opole, Poland
  • Institute of Chemistry, University of Opole, Opole, Poland
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-abpv51i1p137kz
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