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2003: Symmetric D2 Tetramer Design: Limited Interface

Closed since over 4 years ago

Intermediate Overall Design Symmetry

Summary

Created
June 10, 2021
Expires
Max points
100
Description

Design a D2 symmetric protein tetramer, with 4 identical chains of 90 residues each! Unlike the cyclical C4 symmetry that we are used to, the proteins in this puzzle will come together as a "dimer of dimers" with D2 symmetry. This puzzle has no H-Bond Network Objective, but there is "Core Limit: Complex" objective meant to regulate the size of the interface between symmetric chains. An interface that is too large, with too many orange hydrophobics, can prevent the individual subunits from folding properly; on the other hand, an interface that is too small does not provide enough interactions for assembly The "Core Limit: Complex" objective will incur penalties if there are too many, or too few buried residues in the total assembly. This puzzle uses the Buried Unsats Objective, with a large penalty for buried polar atoms that can't make H-bonds. See the puzzle comments for more Objective details.

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Comments

bkoep Staff Lv 1

Buried Unsats (max +500)
Penalizes polar atoms that cannot make hydrogen bonds, -200 points per atom (not including symmetric copies).

Core Existence: Monomer (max +3000)
Ensures that at least 29 residues are buried in the core of the monomer unit.

Core Limit: Complex (max +500)
Checks that 128-144 residues are buried in the symmetric complex, including the interface between monomer units.

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