The FALC-Loop web server for protein loop modeling

The FALC-Loop web server provides an online interface for protein loop modeling by employing an ab initio loop modeling method called FALC (fragment assembly and analytical loop closure). The server may be used to construct loop regions in homology modeling, to refine unreliable loop regions in experimental structures or to model segments of designed sequences. The FALC method is computationally less expensive than typical ab initio methods because the conformational search space is effectively reduced by the use of fragments derived from a structure database. The analytical loop closure algorithm allows efficient search for loop conformations that fit into the protein framework starting from the fragment-assembled structures. The FALC method shows prediction accuracy comparable to other state-of-the-art loop modeling methods. Top-ranked model structures can be visualized on the web server, and an ensemble of loop structures can be downloaded for further analysis. The web server can be freely accessed at http://falc-loop.seoklab.org/.

[1]  Akbar Nayeem,et al.  Loopholes and missing links in protein modeling , 2007, Protein science : a publication of the Protein Society.

[2]  E. Coutsias,et al.  Sub-angstrom accuracy in protein loop reconstruction by robotics-inspired conformational sampling , 2009, Nature Methods.

[3]  Jeffrey L. Billeter,et al.  Simulations of liquid crystals , 1998 .

[4]  M. DePristo,et al.  Ab initio construction of polypeptide fragments: Efficient generation of accurate, representative ensembles , 2003, Proteins.

[5]  Song Liu,et al.  Accurate and efficient loop selections by the DFIRE‐based all‐atom statistical potential , 2004, Protein science : a publication of the Protein Society.

[6]  I. M. Yaglom,et al.  Felix Klein and Sophus Lie : evolution of the idea of symmetry in the nineteenth century , 1988 .

[7]  Hongyi Zhou,et al.  Distance‐scaled, finite ideal‐gas reference state improves structure‐derived potentials of mean force for structure selection and stability prediction , 2002, Protein science : a publication of the Protein Society.

[8]  András Fiser,et al.  ModLoop: automated modeling of loops in protein structures , 2003, Bioinform..

[9]  George W. Irwin,et al.  Computational Intelligence and Bioinformatics, International Conference on Intelligent Computing, ICIC 2006, Kunming, China, August 16-19, 2006. Proceedings, Part III , 2006, ICIC.

[10]  Robert Preissner,et al.  SuperLooper—a prediction server for the modeling of loops in globular and membrane proteins , 2009, Nucleic Acids Res..

[11]  Seung-Yeon Kim,et al.  Fuzzy k-Nearest Neighbor Method for Protein Secondary Structure Prediction and Its Parallel Implementation , 2006, ICIC.

[12]  Jun Zhai,et al.  ArchPRED: a template based loop structure prediction server , 2006, Nucleic Acids Res..

[13]  Pu Liu,et al.  A Self-Organizing Algorithm for Modeling Protein Loops , 2009, PLoS Comput. Biol..

[14]  An-Suei Yang,et al.  Modeling protein loops with knowledge-based prediction of sequence-structure alignment , 2007, Bioinform..

[15]  Seung-Yeon Kim,et al.  Prediction of protein solvent accessibility using fuzzy k-nearest neighbor method , 2005, Bioinform..

[16]  Chaok Seok,et al.  Protein loop modeling by using fragment assembly and analytical loop closure , 2010, Proteins.

[17]  K. Dill,et al.  Resultants and Loop Closure , 2006 .

[18]  David Baker,et al.  Protein-protein docking with backbone flexibility. , 2007, Journal of molecular biology.

[19]  Chaok Seok,et al.  A kinematic view of loop closure , 2004, J. Comput. Chem..

[20]  Patrice Koehl,et al.  The ASTRAL compendium for protein structure and sequence analysis , 2000, Nucleic Acids Res..