You are here

Unrecognized D-Leu name / C-terminal ACE

2 posts / 0 new
Last post
Unrecognized D-Leu name / C-terminal ACE


I am designing a macrocycle with simple_cycpep_predict that contains a D-Leu in the N-terminal and an acetylated ASP in the C-terminal. My sequence_file (-cyclic_peptide:sequence_file) is DLE ........ ASP

1) When I run the app it doesn't recognize the D-Leu name:

ERROR: The residue DLE could not be generated.  Has a suitable params file been loaded? (Note that custom params files not in the Rosetta database can be loaded with the -extra_res or -extra_res_fa command-line flags.)
ERROR:: Exit from: src/core/chemical/ line: 116

2) How do I define the C-terminal as an acetylated ASP?

Thanks in advance.


Post Situation: 
Thu, 2022-08-11 07:43

I solved the first point. in the sequence file, I should put DLEU instead of DLE.

About the second point, additionally to attaching an acetyl group to a C-terminal residue, how do I attach an NH2 group to a C-terminal to transform the C-terminal carboxyl into an amide?

Fri, 2022-08-12 05:56