FLAMEnGO 2.0: An Enhanced Fuzzy Logic Algorithm for Structure-Based Assignment of Methyl Group Resonances
 

FLAMEnGO 2.0: An Enhanced Fuzzy Logic Algorithm for Structure-Based Assignment of Methyl Group Resonances


Publication date: Available online 2 May 2014
Source:Journal of Magnetic Resonance</br>
Author(s): Fa-An Chao , Jonggul Kim , Youlin Xia , Michael Milligan , Nancy Rowe , Gianluigi Veglia</br>
We present an enhanced version of the FLAMEnGO (Fuzzy Logic Assignment of Methyl Group) software, a structure-based method to assign methyl group resonances in large proteins. FLAMEnGO utilizes a fuzzy logic algorithm coupled with Monte Carlo sampling to obtain a probability-based assignment of the methyl group resonances. As an input, FLAMEnGO requires the protein X-ray structure or an NMR structural ensemble with data such as methyl-methyl NOESY, paramagnetic relaxation enhancement (PRE), methine-methyl TOCSY data. Version 2.0 of this software (FLAMEnGO 2.0) has a user-friendly graphic interface and presents improved modules that enable the input of partial assignments and additional NMR restraints. We tested the performance of FLAMEnGO 2.0 on maltose binding protein (MBP) and the C-subunit of the cAMP-dependent protein kinase A (PKA-C). FLAMEnGO 2.0 can be used as a standalone method or to assist in the completion of partial resonance assignments and can be downloaded at http://www.chem.umn.edu/groups/vegli...ngo2-form.html.
Graphical abstract

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Source: Journal of Magnetic Resonance