1277: Unsolved De-novo Freestyle 83: NMR Constraints

Closed since over 9 years ago

Summary

• Created: August 25, 2016
• Expires: September 01, 2016 at 23:00 UTC
• 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

Top groups

• 1. Gargleblasters 100 pts. 23,899
• 2. Beta Folders 73 pts. 23,828
• 3. Anthropic Dreams 52 pts. 23,718
• 4. Contenders 36 pts. 23,689
• 5. Go Science 24 pts. 23,245
• 6. L'Alliance Francophone 16 pts. 23,217
• 7. Void Crushers 10 pts. 23,193
• 8. SETI.Germany 6 pts. 22,347
• 9. Deleted group pts. 22,165
• 10. xkcd 2 pts. 21,978

Top evolvers

• 1. Blipperman 100 pts. 23,899
• 2. Skippysk8s 90 pts. 23,897
• 3. tomespen 80 pts. 23,895
• 4. actiasluna 71 pts. 23,892
• 5. ManVsYard 63 pts. 23,889
• 6. Mike Lewis 56 pts. 23,886
• 7. Superphosphate 49 pts. 23,864
• 8. frood66 43 pts. 23,849
• 9. Norrjane 38 pts. 23,842
• 10. reefyrob 33 pts. 23,825

Comments

[Skippysk8s]

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.

[Susume]

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.

[tokens]

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.