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1838: Coronavirus NSP2 Prediction: Tail Domain

Closed since almost 6 years ago

Intermediate Overall Prediction

Summary


Created
May 14, 2020
Expires
Max points
100
Description

Fold this coronavirus protein! This is the tail portion of a larger protein encoded in the viral genome of SARS-CoV-2. It is encoded in a region of the genome called NSP2, but the protein's structure and function are still unknown. If we knew how this protein folds, we might be able to figure out its exact function. The puzzle's starting structure shows SS predictions from PSIPRED, and hints which parts of the protein might fold into helices or sheets. Refold this protein to find high-scoring solutions, which will tell us how this protein is most likely to fold!



Sequence:


KLVNKFLALCADSIIIGGAKLKALNLGETFVTHSKGLYRKCVKSREETGLLMPLKAPKEIIFLEGETLPTEVLTEEVVLKTGDLQPLEQPTSEAVEAPLVGTPVCINGLMLLEIKDTEKYCALAPNMMVTNNTFTLKGG

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Comments


bkoep Staff Lv 1


Conf: 957999999864626704466302027828863681589953257786010899999578
Pred: CHHHHHHHHHHHEEEEECCEEEEEECCCEEEEECCCEEEEEECCHHHHHHHCCCCCCCEE
  AA: KLVNKFLALCADSIIIGGAKLKALNLGETFVTHSKGLYRKCVKSREETGLLMPLKAPKEI
              10        20        30        40        50        60


Conf: 997077015177366799998352433599655788984354699859689998799607
Pred: EEEECCEECEEEECCEEEEEEEEEEECCCCCCCCCCCCCCCCEEEECCEEEEEECCCCEE
  AA: IFLEGETLPTEVLTEEVVLKTGDLQPLEQPTSEAVEAPLVGTPVCINGLMLLEIKDTEKY
              70        80        90       100       110       120


Conf: 7645787245461664299
Pred: EEECCCCCEECCEEEECCC
  AA: CALAPNMMVTNNTFTLKGG
             130

Steven Pletsch Lv 1

Do you know what software the SAM-T08 server ran for predictions ? I think a plot like that would be infinitely more helpful with this beautiful disaster.

beta_helix Staff Lv 1


From http://clavius.bc.edu/~clotelab/DiANNA/:

Disulfide bond scores
Cys position	Distance	  Bond	         Score
10 - 41	        31	KFLALCADSII-GLYRKCVKSRE	0.01039
10 - 105	95	KFLALCADSII-VGTPVCINGLM	0.01126
10 - 121	111	KFLALCADSII-DTEKYCALAPN	0.01654
41 - 105	64	GLYRKCVKSRE-VGTPVCINGLM	0.01708
41 - 121	80	GLYRKCVKSRE-DTEKYCALAPN	0.01426
105 - 121	16	VGTPVCINGLM-DTEKYCALAPN	0.01097
Step 5: Weighted matching
Predicted bonds
10 - 121	KFLALCADSII - DTEKYCALAPN
41 - 105	GLYRKCVKSRE - VGTPVCINGLM
Predicted connectivity
1-4, 2-3


and from http://disulfind.dsi.unifi.it/monitor.php?query=5oIJ1z

                  +------------------------------+                                      
                  |                              |                                      
         .........10........20........30........40........50........60........70........
AA       KLVNKFLALCADSIIIGGAKLKALNLGETFVTHSKGLYRKCVKSREETGLLMPLKAPKEIIFLEGETLPTEVLTEEVVL
DB_state          1                              1                                      
DB_conf           5                              5                                      

                                  +---------------+                  
                                  |               |                  
         80........90........100.......110.......120.......130.......
AA       KTGDLQPLEQPTSEAVEAPLVGTPVCINGLMLLEIKDTEKYCALAPNMMVTNNTFTLKGG
DB_state                          1               1                  
DB_conf                           6               5                  

DB_bond   bond(10,41)
DB_bond   bond(105,121)

Conn_conf 0.749646

Definitions explained here by jeff101: https://fold.it/portal/node/2009630#comment-41525
Thanks Jeff!

Steven Pletsch Lv 1

I did as well, I really made it a lot easier when deciding when and where to make changes. I have been downloading different software to play with, but have not found anything close to it.

Timo van der Laan Lv 1

I ran the Jpred prediction and something is very strange with this protein. I have never before seen that the 3 engines they use have very different outcomes. One is really different.
OrigSeq : KLVNKFLALCADSIIIGGAKLKALNLGETFVTHSKGLYRKCVKSREETGLLMPLKAPKEIIFLEGETLPTEVLTEEVVLKTGDLQPLEQPTSEAVEAPLVGTPVCINGLMLLEIKDTEKYCALAPNMMVTNNTFTLKGG : OrigSeq

Jnet : -HHHHHHHHHHHHHHH—EE——HHHHH—–EEEEEH-HHEEEEE——-EEEEE——EEEEE-EEEEEE———-HHH—-EEEEEEEE—EEEEE——E——EEE–EEE—- : Jnet
jhmm : HHHHHHHHHHHHHHHH—EE——EEEE——EEEEEE–EEE———-EEEEE—–EEEEEEEEEEEEEEE—————EEEEEEEE—EEEEE—–EEE—–EEHHHHHH—- : jhmm
jpssm : -HHHHHHHHHHHHHHHH——–HHHHHHHH—-HHHHHHHHHHHHHE——–EEEE——HHHHHHHHHH——H-HHHHHHHH—EEEEEEEE–EEEEEE————-EEE–EEEE— : jpssm
As you can see the jpssm prediction has way more helices as the other 2. Can it be that this is a protein with 2 structures, one inside the virus and one when it enters or is inside a cell?

jeff101 Lv 1

          0000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000001111111111111111111111111111111111111111
          0000000001111111111222222222233333333334444444444555555555566666666667777777777888888888899999999990000000000111111111122222222223333333333
          1234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789
OrigSeq : KLVNKFLALCADSIIIGGAKLKALNLGETFVTHSKGLYRKCVKSREETGLLMPLKAPKEIIFLEGETLPTEVLTEEVVLKTGDLQPLEQPTSEAVEAPLVGTPVCINGLMLLEIKDTEKYCALAPNMMVTNNTFTLKGG : OrigSeq
PsiPred : -HHHHHHHHHHHEEEEE--EEEEEE---EEEEE---EEEEEE--HHHHHHH-------EEEEEE--EE-EEEE--EEEEEEEEEEE----------------EEEE--EEEEEE----EEEEE-----EE--EEEE--- : PsiPred 
   Jnet : -HHHHHHHHHHHHHHH---EE------HHHHH-----EEEEEH-HHEEEEE-------EEEEE------EEEEE-EEEEEE----------HHH----EEEEEEEE---EEEEE------E------EEE--EEE---- : Jnet
   jhmm : HHHHHHHHHHHHHHHH---EE------EEEE------EEEEEE--EEE----------EEEEE-----EEEEEEEEEEEEEEE---------------EEEEEEEE---EEEEE-----EEE-----EEHHHHHH---- : jhmm
  jpssm : -HHHHHHHHHHHHHHHH--------HHHHHHHH----HHHHHHHHHHHHHE--------EEEE------HHHHHHHHHH------H-HHHHHHHH---EEEEEEEE--EEEEEE-------------EEE--EEEE--- : jpssm 

Bruno Kestemont Lv 1

Can it be that this is a protein with 2 structures, one inside the virus and one when it enters or is inside a cell?