[sassie-web/sassie2-feedback][suggestion] 'CMC issue with multiple flexible regions' emre@biochem.uthscsa.edu

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genapp.not...@gmail.com

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Nov 6, 2022, 1:27:56 PM11/6/22
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subject : CMC issue with multiple flexible regions
from : emre
email : em...@biochem.uthscsa.edu
level : suggestion
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For CMC, I'm getting this message: your low residue plus number contiguous exceeds the number of amino acids-1 (278), reslow = 287 numcont = 6. There are 306 residues in chain A. CMC works fine if I specify only one flexible range (145-151). MMC works fine if i strip the Carb chains BCD and specify both ranges (145-151,287-293).
_args_85d71830-5dea-11ed-b39f-0fbfd7f35bc8
eventlog.txt
_cmds_85d71830-5dea-11ed-b39f-0fbfd7f35bc8
_stdout_85d71830-5dea-11ed-b39f-0fbfd7f35bc8
_args_3f74b450-5dff-11ed-8b23-dfa592debae2
_cmds_3f74b450-5dff-11ed-8b23-dfa592debae2
_stdout_3f74b450-5dff-11ed-8b23-dfa592debae2
attachmentsummary.txt

mads...@gmail.com

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Nov 7, 2022, 11:41:09 AM11/7/22
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The last amino acid residue in your PDB is indeed 306, but the first is 28, so you have 306-28 = 278 as shown in the message.  As 141-151 is within range then your flexible region is within the number of amino acids that is checked in the pre-run filter.
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