Dear Modeller caretaker, using mutate_model I replaced a residue in a protein with Cys. Looking at the mutant protein, I saw that this new Cys residue is near to another Cys residue that was previously in the protein. The two sulphur moieties are not facing each others as in a disulfide bridge, but are rotated away. However, manually rotating the side chains, they can approach their sulphur moieties until less than 3A of distance, so in my opinion a disulfide bridge could be formed. At present I have not experimental data to confirm if a disulfide bridge is forming or not in this mutant. How can I check with MODELLER if this newly introduced mutation is really able to form a new disulfide bridge into my protein? How can I model this new disulfide bridge? Many thanks and best regards Anna Marabotti
______________________________________________ Anna Marabotti, Ph.D. Laboratorio di Bioinformatica e Biologia Computazionale Istituto di Scienze dell'Alimentazione, CNR Via Roma 52 A/C 83100 Avellino (Italy) Tel: +39 0825 299651 Fax: +39 0825 781585 Skype: annam1972 E-mail: amarabotti@isa.cnr.it Web page: http://bioinformatica.isa.cnr.it/anna/anna.htm Coming soon: BBCC2008: http://bioinformatica.isa.cnr.it/BBCC/BBCC2008 ____________________________________________________ "If you think you are too small to make a difference, try sleeping with a mosquito"