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Computer building of β‐helical polypeptide models

 

作者: Roger E. Koeppe,   Michio Kimura,  

 

期刊: Biopolymers  (WILEY Available online 1984)
卷期: Volume 23, issue 1  

页码: 23-38

 

ISSN:0006-3525

 

年代: 1984

 

DOI:10.1002/bip.360230104

 

出版商: Wiley Subscription Services, Inc., A Wiley Company

 

数据来源: WILEY

 

摘要:

AbstractA general method is presented for computing the atomic coordinates of helices in which a dipeptide is the repeating unit. The method will generate both single‐ and double‐stranded model helices having idealized bond lengths and angles, and any arbitrary, user‐specified, pitch and number of residues per turn. The variation of inter‐ and intrastrand hydrogen bonds with pitch and number of residues per turn can thus be examined. An application of the method is the construction of a β‐helix having pitch of 6.3 Å per turn and 4.85 residues per turn, a model which can pack nicely into the unit cell of crystals of cation‐bound

 

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