Related Experiment Video
Updated: Jun 25, 2026

Self-assembling Morphologies Obtained from Helical Polycarbodiimide Copolymers and Their Triazole Derivatives
Published on: February 7, 2017
Helix-turn-helix motifs in unsolvated peptides
David T Kaleta1, Martin F Jarrold
1Department of Chemistry, Indiana University, 800 East Kirkwood Avenue, Bloomington, Indiana 47405, USA.
Abstract:
The conformations of unsolvated Ac-A14KG3A14K + 2H+ (Ac = acetyl, A = alanine, K = lysine, G = glycine) have been examined by ion mobility measurements and molecular dynamics simulations. This peptide was designed as a model helix-turn-helix motif. It was found to adopt three distinct geometries which were assigned to an extended helical conformation which is only stable at low temperatures (<230 K), a relatively high energy but metastable structure with exchanged lysines, and a coiled-coil. The coiled coil (which consists of an antiparallel arrangement of two helical alanine sections linked by a flexible glycine loop) is the dominant conformation. For temperatures >350 K, the experimental results indicate the helices uncouple and the loop randomizes. From equilibrium constants determined for this helix coupling right arrow over left arrow uncoupling transition, we found DeltaH degrees = -45 kJ mol-1 and DeltaS degrees = 114 J K-1 mol-1. -DeltaH degrees is essentially the enthalpy change for docking the two helices together while DeltaS degrees is essentially the entropy change for freeing up the glycine loop.
Related Concept Videos
Newman Projections
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as conformers.
Conformations of Cyclohexane
The chair form is the most stable and derives its name from its resemblance to the “easy chair.” In the chair conformation, two carbon atoms are arranged out-of-plane — one above and one below, minimizing the torsional strain. In the chair form, the bond angle is very close to the ideal tetrahedral value,...
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR
Polar Curves
Oriented Surfaces

