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1277: Unsolved De-novo Freestyle 83: NMR Constraints

Closed since over 9 years ago

Intermediate Overall Prediction

Summary

Created
August 25, 2016
Expires
Max points
100
Description

This is a follow-up puzzle for Puzzle 1268, now with NMR torsion constraints! We have some experimental data from NMR spectroscopy that tells us about some structural propensities of this protein, but we don’t have a way to turn that data into a structure. Here we've included some of these data as torsional constraints, which constrain the backbone φ- and ψ-torsions of each residue. The constraints are reflected in the Backbone subscore; look for residues with with a bad Backbone score to find areas that need improvement! Some of the torsion constraints are suggestive of α-helices and β-sheets, which have been included in the starting structure for your convenience. Players will be able to load in manual saves from Puzzle 1268 and use them as a starting point here.



Sequence:


ENNAQTTNESAGQKVDSSMNKVGNFMDDSAITAKVKAALVDHDNIKSTDISVKTDQKVVTLSGFVESQAQAEEAVKVAKGVEGVTSVSDKLHVRDAKEGSVKGYAGDTATTSEIKAKLLADDIVPSRHVKVETTDGVVQLSGTVDSQAQSDRAESIAKAVDGVKSVKNDLKTK

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Comments

Skippysk8s Lv 1

I'd love to see a small puzzle with similar playing conditions. My machine is too small to have worked this puzzle and I feel left out of all the fun.
Good luck all
Skippy

Susume Lv 1

If this turns out to be a useful puzzle type (I hope it does!) it would be very helpful to be able to choose which subscore(s) to use for coloring. This is a feature that has been requested before, but I bring it up because it would enhance this puzzle so well.

tokens Lv 1

With the wide range of segment scores in this puzzle, it would also be nice to be able to choose the scaling of the coloring from red to green. Currently most of my protein is scoring bright green making it hard to decide which parts can be improved. Relative score coloring partly does this but I would like more control.