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1046: Player-Solution Strand Redesign

Closed since about 11 years ago

Intermediate Overall Design

Summary

Created
February 04, 2015
Expires
Max points
100
Description

This is a puzzle where you can redesign part of a player-designed protein. This is a monomer designed by viosca for Puzzle 1024: 75 Residue Monomer Design: Zero Cysteines. Our analysis shows that most of this protein is likely to fold, but that the first strand and loop can adopt some alternative conformations. Help us redesign this region of the protein to lock down the position of the first strand! Players may make mutations only at certain positions that contact the first strand. Players may also insert two additional residues in this region, but beware that changing the shape of the protein too much will disqualify your design!

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Comments

bkoep Staff Lv 1

Residue IE Score: Monitors that all PHE, TYR, and TRP residues are scoring well.

Core Existence: Ensures that at least 30% of the residues are buried in the core of your design.

Fragment Score: Scans for parts of your design that are unlikely to fold up naturally. Use Rebuild and Remix tools to fix these regions of your design!

Secondary Structure Design: Penalizes all CYS residues. Penalizes GLY, ALA, and PRO residues in helices and sheets. Also penalizes hydrophilic residues in the core and hydrophobic residues on the surface.

Exploration: Designs that deviate from the starting structure with RMSD > 2.0Å are invalid.

brow42 Lv 1

First thing I did was shift the first helix 1 segment. This alone brought me up to 1.90 exploration. I think the loop on one end is too short. But if I can't shift it, I don't have much room to move.