1960: Symmetric Trimer Design: H-bond Networks

Closed since about 5 years ago

Summary

• Created: February 24, 2021
• Expires: March 03, 2021 at 23:00 UTC
• Max points: 100

Description

Design a symmetric protein trimer, with 3 identical chains that assemble together! This puzzle includes a Secondary Structure Objective, so no more than 50% of your design can form helices. The H-bond Network Objective encourages players to build buried, satisfied H-bond networks at the interface between symmetric chains. H-bond networks are a great way to introduce polar residues at the interface, but it's important that all of the bondable atoms make hydrogen bonds! We've also adjusted the H-bond Network Objective so that poor-scoring H-bonds may not contribute to networks; poor-scoring H-bonds will be displayed in red. This puzzle uses the Buried Unsats Objective, with a large penalty for buried polar atoms that can't make H-bonds. In this puzzle, there are no limits on the Complex Core, but we've included the Complex Core objective so players can see the core residues that can be incorporated into H-bond Networks.

Top groups

• 1. Contenders 100 pts. 22,276
• 2. Go Science 77 pts. 21,878
• 3. Gargleblasters 58 pts. 21,242
• 4. Anthropic Dreams 43 pts. 20,783
• 5. Marvin's bunch 31 pts. 20,745
• 6. Beta Folders 22 pts. 20,394
• 7. Void Crushers 15 pts. 20,030
• 8. Australia 11 pts. 18,347
• 9. L'Alliance Francophone 7 pts. 17,888
• 10. Olsztynek 5 pts. 17,282

Top soloists

• 1. spvincent 100 pts. 22,266
• 2. ichwilldiesennamen 96 pts. 21,853
• 3. silent gene 92 pts. 21,753
• 4. fiendish_ghoul 88 pts. 21,733
• 5. NeLikomSheet 84 pts. 21,316
• 6. Enzyme 80 pts. 21,242
• 7. CharlieFortsConscience 76 pts. 21,073
• 8. Bruno Kestemont 72 pts. 21,066
• 9. dcrwheeler 69 pts. 20,975
• 10. robgee 66 pts. 20,783

Comments

[bkoep]

Buried Unsats (max +500)
Penalizes polar atoms that cannot make hydrogen bonds, -150 points per atom (not including symmetric copies).

Core Existence: Monomer (max +1600)
Ensures that at least 22 residues are buried in the core of the monomer unit.

Core: Complex (max +0)
Awards no bonuses or penalties. Click Show to see which residues count as "Core" for the H-bond Network objective.

H-bond Network (max +1800)
Rewards networks that comprise at least 2 H-bonds involving core residues.
Between 1 and 9 H-bonds should cross the interface between symmetric units.
Networks must be at least 75% satisfied (i.e. 75% of all bondable atoms in a network must make a H-bond).

Interaction Energy (max +500)
Monitors that all large PHE, TYR, and TRP residues are scoring well.

SS Design (max +500)
Penalizes all CYS residues. Penalizes GLY, ALA residues in sheets. Penalizes GLY, ALA in helices.

Ideal Loops (max +500)
Penalizes any loop region that does not match one of the Building Blocks in the Blueprint tool. Use "Auto Structures" to see which regions of your protein count as loops.

Secondary Structure (max +500)
No more than 50% of residues may form helices. Extra helices are penalized at 10 points per residue.