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We examined the correlation between sequence and structural stability of dimeric variable domains of immunoglobulin light chains using molecular dynamics simulations of 24 representative dimer interfaces, followed by energy evaluation of conformational ensembles for 20 AL patients' light chain sequences.
We report here for completeness the calculation originally developed in [ 48] on the relationship between sequence and structural profiles induced by stability conditions.
The relationship between sequence and structural ensemble is important because it describes what part of the time the chain is in a compact state, and what part of the time it is more accessible.
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The α-helical coiled coil is an example of such a protein fold where there are good broad-brush links between sequence and the overall structural class (Delorenzi and Speed, 2002; Lupas et al., 1991; Vincent et al., 2013).
Here we illustrate this visualization approach with a few examples, highlighting connections between these different sequence and structural features for microRNAs in Drosophila melanogaster.
The appreciation of these relations between key protein sequence and structural features and their likely molecular functions will drive experimental elucidation of their roles in the biology of the mosquito complement-like system and innate immunity.
Lesk and Chothia also published a seminal study on the relationship between sequence identity and structural similarity [15] within homologous superfamilies which is still used to guide structure prediction and protein family assignment.
This potential suggests that by routinely applying the present analysis to different nucleic acid sequences undergoing various structural changes, it may be possible to achieve a detailed and robust understanding of the relationship between base composition, base sequence and structural heterogeneity in nucleic acids.
The correlation analysis between the measures of sequence and structural similarity, linear/nonlinear regression analyses and cluster analysis were performed using Splus version 6. Pearson and Spearman correlation coefficients were calculated to quantify the accuracy of linear correlation.
Thus, the promiscuous activities of enzymes represent connections between different catalytic landscapes and provide an additional layer of evolutionary connectivity between functional families alongside their sequence and structural relationships.
Far UV wavelength scans were performed in phosphate buffer at physiological pH, and demonstrated very similar secondary structure profiles, as would be expected given the level of sequence and structural identity between the four domains (Supplementary Figure S2 available at http://www.bioscirep.org/bsr/033/bsr033e040add.htm).htm
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