Conformational energy calculations of tyrocidine

Author

Leslie Beth Shapiro, Union College - Schenectady, NY

Date of Award

6-1989

Document Type

Open Access

Degree Name

Bachelor of Science

Department

Chemistry

Language

English

Abstract

The minimum energy conformation of the cyclic decapeptide tyrocidine was calculated using the Empirical Conformational Energy Program for Peptides (ECEPP). Half of the amino acid sequence of tyrocidine is identical to the amino acid sequence found in the cyclic decapeptide gramicidin-S. Hence this study focuses on the conformation of the decapeptide that is not contained in gramicidin-S. This study calculates the conformation of a tripeptide ASN-GLN-TYR without the consideration of the presence of a beta bend formation because there is a low probability that a beta bend exists in this location. Two of the lowest energy conformations found in this study have an 82 % probability of occurrence. Computer graphics representations of these conformations show the presence of hydrogen bonding and compact appearance.

Recommended Citation

Shapiro, Leslie Beth, "Conformational energy calculations of tyrocidine" (1989). Honors Theses. 2024.
https://digitalworks.union.edu/theses/2024