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Analysis of interatomic contacts

Chemical bonds and interactions between amino acid side chains determine the two- and three-dimensional fold and detailed shape of a protein. After modelling the mutated side chains into the structure, its effect on the chemical bonds with neighbouring residues and changes in the solvent accessible surface of the residue atoms can be studied by the following methods.

CSU http://bip.weizmann.ac.il/oca-bin/lpccsu Analysis of
interatomic contacts
(Sobolev, et
al., 1999)
KiNG http://kinemage.biochem.duke.edu/software/king.php Molecular graphics (Lovell, et
al., 2003)
MolProbity http://molprobity.biochem.duke.edu/ Analysis of
interatomic contacts and packing, structure validation
(Davis, et al.,
2004)
PROBE http://kinemage.biochem.duke.edu/software/probe.php Analysis of
interatomic contacts and packing
(Word, et al.,
2000; Word, et al., 1999)
PyMOL http://pymol.sourceforge.net/ Molecular graphics (DeLano, 2002)
RankViaContact http://bioinf.uta.fi/RankViaContact.html Analysis and
visualization of interatomic contacts
(Shen and Vihinen,
2003)
SABLE http://sable.cchmc.org/ Prediction of
solvent accessibilities, 2D structures and transmembrane
domains
(Adamczak, et
al., 2004; Adamczak, et al., 2005; Wagner, et al., 2005)
CMA http://ligin.weizmann.ac.il/cma/ (Sobolev et al., 2005)


 
  
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