(426d) Towards a Thermodynamic Model for Predicting Coiled-Coil Protein Structures
AIChE Annual Meeting
2018
2018 AIChE Annual Meeting
Engineering Sciences and Fundamentals
Thermodynamics of Biomolecular Folding and Assembly
Tuesday, October 30, 2018 - 4:15pm to 4:30pm
The main objective of our work is to develop a statistical mechanical model to predict the propensity of a protein sequence to form an isolated coiled-coil structure and to study its structural response to the mechanical load. We develop a partition function for coiled-coil dimerization to estimate the probability of a given amino acid sequence to form various dimeric coiled-coil structures. We use our modelâs predictions to reexamine the assumptions of the thermodynamic models employed to obtain various free energy terms from the experimental measurements. The model parameters will be optimized based on comparisons with our experimental data of coiled-coil forming sequences designed to quantify various free energy effects. We will combine the above coiled-coil dimerization model with our previously developed model on the tensile mechanics of α-helical polypeptide3. This results in a model that predicts the structural response of a given coiled-coil motif to a mechanical tension.
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