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2239: Monkeypox H3 Binder Design: Round 8

Closed since over 3 years ago

Intermediate Overall Design

Summary

Created
December 15, 2022
Expires
Max points
100
Description

Design a protein that can bind to the monkeypox H3 target! AlphaFold predictions are available for your designed binder. Once you've designed a binder for the target, upload your solution for AlphaFold using the AlphaFold prediction tool. AlphaFold will predict the structure of your binder chain only (i.e. in the unbound state, in the absence of the target). If you load this prediction, then Foldit will attempt to align the prediction with your solution (i.e. in the bound state, making an interface with the target). If you continue working off of the AlphaFold prediction, you may need to make adjustments at the interface where the binder interacts with the target.

Top groups

  1. Avatar for CureCoin 11. CureCoin 1 pt. 7,939
  2. Avatar for BBIO WARRIOR 12. BBIO WARRIOR 1 pt. 7,099
  3. Avatar for Team South Africa 13. Team South Africa 1 pt. 3,520
  4. Avatar for Team China 14. Team China 1 pt. 482
  5. Avatar for Foldit Staff 15. Foldit Staff 1 pt. 0
  1. Avatar for fpc 21. fpc Lv 1 39 pts. 13,305
  2. Avatar for bamh 22. bamh Lv 1 37 pts. 13,160
  3. Avatar for phi16 23. phi16 Lv 1 35 pts. 13,131
  4. Avatar for maithra 24. maithra Lv 1 34 pts. 13,092
  5. Avatar for AlkiP0Ps 25. AlkiP0Ps Lv 1 32 pts. 13,010
  6. Avatar for sitlux 26. sitlux Lv 1 30 pts. 12,951
  7. Avatar for drjr 27. drjr Lv 1 29 pts. 12,721
  8. Avatar for Joanna_H 28. Joanna_H Lv 1 27 pts. 12,684
  9. Avatar for abiogenesis 29. abiogenesis Lv 1 26 pts. 12,460
  10. Avatar for AlphaFold2 30. AlphaFold2 Lv 1 24 pts. 12,443

Comments

bkoep Staff Lv 1

Objectives

DDG Metric (max +2000)
The predicted binding energy of your design. The goal DDG is -40.0 or less.

Contact Surface (max +2000)
Measures how much of your binder surface is in close contact with the target protein. The goal Contact Surface is 500 or more.

Buried Unsats (max +500)
Penalizes 20 points for each polar atom that cannot make any hydrogen bonds.

Core Existence (max +1500)
Ensures that at least 25 percent of residues are buried in the core of the monomer unit.

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

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.

SS Design (max +500)
Disabled use of CYS residues.

Neural Net (max +2000)
Achieve an AlphaFold prediction confidence of 80% or more, and similarity to current solution is 80% or more.