Damietta Protein Design Toolkit

News and updates of the protein design toolkit;

[Damietta Protein Design Toolkit @proteintoolkit]

New non-canonical amino acids introduced (standalone software):

L-thioproline (PRS), D-thioproline (DBR), L-phenylglycine (004), and D-phenylglycine (PG9)

[Damietta Protein Design Toolkit @proteintoolkit]

Static Energy (se) tool to score static structures without repacking is now available (server and standalone)

[Damietta Protein Design Toolkit @proteintoolkit]

Note that D-AA rotamer distributions favor positive phi angles.

[Damietta Protein Design Toolkit @proteintoolkit]

D-amino acids are now available in all design and MD protocols, on standalone and server software.

The table of valid input 3-letter codes: https://t.co/Hn302sFSto

[Damietta Protein Design Toolkit @proteintoolkit]

The resulting (phi,psi) distribution is ~10% broader, with lower helical propensity and results in better combinatorial minimization

[Damietta Protein Design Toolkit @proteintoolkit]

The upgraded rotamer library (v1.60->v1.95):
- Glycine padding; Ac-GLY-X-GLY-NHMe instead of Ac-X-NHMe
- Higher temperature; 310 K instead of 293 K
- Simulated using CHARMM36 instead of CHARMM27