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1910: MERS-CoV Binder Design: Round 2
Status: Closed

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bkoep's picture
User offline. Last seen 4 hours 28 min ago. Offline
Joined: 11/15/2012
Groups: Foldit Staff
Objectives

Buried Unsats (max +500)
Penalizes 60 points for each polar atom that cannot make any hydrogen bonds.

Residue Count (max +275)
Penalizes extra residues inserted beyond the starting 161, at a cost of 55 points per residue. Players may use up to 166 residues in total.

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. Penalizes GLY, ALA residues in sheets. Penalizes GLY, ALA in helices.

SASA Metric (max +1000)
The solvent-accessible surface area that is lost upon binding. The target SASA is 1500 or more.

DDG Metric (max +1000)
The predicted binding energy of your design. The target DDG is -40.0 or less.

SC Metric (max +1000)
Measures how well your binder fits the contours of the target surface. The target Shape Complementarity is 0.60 or more.

g_b's picture
User offline. Last seen 15 hours 40 min ago. Offline
Joined: 04/28/2010
Groups: None
puzzle 1910 strange scoring - 3 different values

1) under Soloist Competition in upper right of screen it says 14101 position 26
2) in Auto save screen the top score is 13366 and same when I do Restore Very Best
3) on the puzzle page it says portion 34 with a score of 13479

can't get back to the 14101

Joined: 09/29/2016
Groups: Gargleblasters
Yes, unfortunately the buggy Metrics Filters were used...

This was something I documented in the filters on the "Coronavirus Binders with Metrics Sandbox" puzzle a week ago, and had hoped would get fixed before they rolled those filters out into a Science puzzle. Alas, it was not :(

I let the team know, though, don't worry! Hopefully a 1910b will come out with the issue fixed.

APPAAP's picture
User offline. Last seen 17 weeks 1 day ago. Offline
Joined: 04/25/2020
Groups: None
Metrics

First I want to thanks bkoep for answering in the Foldid puzzle Coronovirus Binder Metrix Sandbox. Secondly I found this version of Metrics useful although not easy-convenient (I mean the degree of easiness for playing )relative to previous versions but on the other hand this may help to find better solutions.

Now I am starting understand that in the previous foldit versions high score not necessary means a valuable solution. Only a low energy of protein does not guarantee stabiliy is it that right?

As far I can understand Enzyme and ZeroLeak7 may have about 99% propability in their designs to be real implemented compared to about 66% of mine. The 1% missing can make a big difference in the evolution of a protein folding. Metrics may show the way but I do not know how well the design will correspond to the real protein build up.
I would like to have a penny four your thoughts i.e. if are you using recipes for getting high scores? I am a relative new player to foldit and may need to join some group. Personally I try some of other players recipes but I do not use any.
I also noticed as g_b states that you can get back the highest score achieved. This probably is not due to the buggy metrices but rather because when you disable them you get the highest score which happen not to be the total highest with the metrices. Anyway you cannot get back the best solution if you proceed with matrices may foldit team has to take care.

Joined: 05/19/2009
Groups: Contenders
link to the original bug report

Here is the link to the original bug report that I submitted:

https://fold.it/portal/node/2010614

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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, Boehringer Ingelheim, RosettaCommons