Raw two-dimensional torsion angle database potential energy surfaces of mean force for protein sidechains.

 

Kuszewski, J., Gronenborn, A.M. & Clore, G.M. (1996) Improving the quality of NMR and crystallographic protein structures by means of a conformational database potential derived from structure databases. Protein Science 5, 1067-1080. pubmed

Kuszewski, J., Gronenborn, A.M. & Clore, G.M. (1997) Improvements and extensions in the conformational database potential for the refinement of NMR and X-ray structures of proteins and nucleic acids. J. Magn. Reson. 125, 171-177. pubmed PDF

Kuszewski, J. & Clore, G.M. (2000) Source of and solutions to problems in the refinement of protein NMR structures against torsion angle potentials of mean force. J. Magn. Reson. 146, 249-254. pubmed PDF

Clore, G.M. & Kuszewski, J. (2002) c1 rotamer populations and angles of mobile surface side chains are accurately predicted by a torsion angle database potential of mean force. J. Am. Chem. Soc. 124, 2866-2867. pubmed PDF

 

chi1/chi2 arg/lys/met

chi1_chi2_arg_lys_met

chi2/chi3 arg

chi2_chi3_arg

chi2/chi3 lys

chi2_chi3_lys

chi2/chi3 met

chi2_chi3_met

chi1/chi2 asp

chi1_chi2_asp

chi1/chi2 asn

chi1_chi2_asn

chi1/chi2 oxidized cys

chi1_chi2_cysox

chi1/chi2 gln/glu

chi1_chi2_glu_gln

chi2/chi3 gln

chi2_chi3_gln

chi2/chi3 glu

chi2_chi3_glu

chi1/chi2 ile

chi1_chi2_ile

chi1/chi2 leu

chi1_chi2_leu

chi1/chi2 his

chi1_ch2_his

chi1/chi2 phe/tyr

chi1_chi2_tyr_phe

chi1/chi2 trp

chi1_chi2_trp

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