1969: Symmetric Trimer Design: H-bond Networks

Closed since almost 5 years ago

Summary

• Created: March 17, 2021
• Expires: March 24, 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

• 11. Olsztynek 1 pt. 16,136
• 12. Team China 1 pt. 14,284
• 13. foldeRNA 1 pt. 14,261
• 14. Czech National Team 1 pt. 12,743
• 15. DSN @ Home 1 pt. 0

Top soloists

• 1. frood66 100 pts. 20,602
• 2. Galaxie 95 pts. 20,567
• 3. grogar7 90 pts. 20,522
• 4. ichwilldiesennamen 85 pts. 20,471
• 5. HuubR 81 pts. 20,172
• 6. fiendish_ghoul 76 pts. 20,001
• 7. LociOiling 72 pts. 19,945
• 8. silent gene 68 pts. 19,902
• 9. dcrwheeler 64 pts. 19,840
• 10. Bruno Kestemont 60 pts. 19,570

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 +2000)
Ensures that at least 20 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 3 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.