Statistical mechanics of noncovalent bonds in polyamino acids. VI. A simple model for side-chain hydrogen bonds between helices

✍ Scribed by Douglas C. Poland; Harold A. Scheraga

• Publisher: Wiley (John Wiley & Sons)
• Year: 1965
• Tongue: English
• Weight: 435 KB
• Volume: 3
• Category: Article
• ISSN: 0006-3525
• DOI: 10.1002/bip.1965.360030402

✦ Synopsis

The partition fiuiction of paper I1 for short polypeptide chaiiis is incorporated here into one for a simple model for side-chain hydrogen bonds between helices. It is thus possible to calculate the fraction of amide hydrogen bonds, the fraction of side-chain hydrogen bonds, and the number of bound protons as a function of temperature and pH. Illustrative data are presented for the probabilities of occurrence of intermediate structares and for the influence of the overall conformation on the observed pK's of ionizable groups.

* Such structural features might be expected to exist iii proteins.