/COVID-19

Protein structure prediction for the 10 COVID-19 related proteins released by CASP (Commons)

Primary LanguageJupyter Notebook

3D models of COVID-19 related proteins guided by predicted inter-residue distances

For the 10 COVID-19 related proteins released by CASP Commons

Our structure prediction method

  • Our overall method is demonstrated here
  • Full details are yet to be published

Our method for the COVID-19 protein targets

Protein (target) L Aln. size (e-value = 0.001) Aln. size (e-value = 0.1) # of models
C1901 638 249 - 25
C1902 500 499 - 17
C1903 290 357 - 150
C1904 686 166 - 12
C1905 275 26 - 200
C1906 222 160 - 100
C1907 61 12 - 350
C1908 121 12 1919 420
C1909 38 1 1 600
C1910 43 4 2141 410

Distance map predictions vs distance map from the best Rosetta model

C1901

C1902

C1903

C1904

C1905

C1906

C1907

C1908

Model 1

Model 2

C1909

Model 1

Model 2

C1910

Team

  1. Badri Adhikari (adhikarib@umsl.edu)
  2. Jacob Barger (jsbp67@mail.umsl.edu)
  3. Bikash Shrestha (bsmmy@mail.umsl.edu)

Contact

Badri Adhikari
adhikarib@umsl.edu
University of Missouri-St. Louis