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[modeller_usage] refining bad backbone & side chain angles
- To: modeller_usage@listsrv.ucsf.edu
- Subject: [modeller_usage] refining bad backbone & side chain angles
- From: Irene Newhouse <irenenew AT hawaii.edu>
- Date: Wed, 08 Dec 2010 13:30:59 -1000 (HST)
Following an earlier message on the topic of refining a homology model, I just tried a Chimera minimization. The results underwhelm me: Procheck before minimization had 34/576 residues marked with bad phi, psi angles & 10 with bad chi angles. After minimization, there were 40 residues with bad phi, psi angles & 11 with bad chi angles. That's NOT the direction I was looking for!
The template structure contained 454 residues, of which only 2 were marked for phi, psi angles by Procheck, and 4 for chi angles. There's only 27% identity, so that's probably part of the issue.
Any recommendations?
Thanks!
Irene Newhouse