puzzle picture
1277: Unsolved De-novo Freestyle 83: NMR Constraints
Status: Closed

Summary

Name: 1277: Unsolved De-novo Freestyle 83: NMR Constraints
Status: Closed
Created: 08/25/2016
Points: 100
Expired: 09/01/2016 - 23:00
Difficulty: Intermediate
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
Categories: Overall, Prediction

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Comments

Joined: 06/06/2013
Groups: Gargleblasters
can we have a small one of this type of puzzle

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's picture
User offline. Last seen 7 hours 6 min ago. Offline
Joined: 10/02/2011
Color based on one subscore

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's picture
User offline. Last seen 15 weeks 2 days ago. Offline
Joined: 11/28/2011
Scaling the coloring

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.

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Developed by: UW Center for Game Science, UW Institute for Protein Design, Northeastern University, Vanderbilt University Meiler Lab, UC Davis
Supported by: DARPA, NSF, NIH, HHMI, Amazon, Microsoft, Adobe, RosettaCommons