Dear ccp4 users,

I have found contadictory classifications in side-chain dihedral chi1, namely for gauche(+) and gauche(-), and I would like to know the actual convention.

It seems that in general for polymers G- (gauche(-) ?) and G+ (gauche(+) ?) correspond to dihedral angles -60 and +60 degrees, according to http://goldbook.iupac.org/C01088.html, but I also find exanples where chi1 is defined by dihedral N-CA-CB-CG with gauche(-) and gauche(+) corresponding to dihedral angles +60 and -60 degrees (reversing the IUPAC naming above).

Does anyone knows what is the accepted convention ? A reference?

Thanks.

Carlos

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Dr. Carlos Frazao
Structural Biology Laboratory - Macromolecular Crystallography Unit
ITQB-UNL, Av Republica, Apartado 127
2781-901 Oeiras, Portugal

Phone: (351)-214469666 FAX: (351)-214433644
e-mail: fra...@itqb.unl.pt
       www.itqb.unl.pt

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