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Blind Assessment of Monomeric AlphaFold2 Protein Structure Models with

Experimental NMR Data

Authors

First Name Last Name
Ethan Li
Laura Spaman
Roberto Tejero
Yuanpeng J. Huang
Theresa A. Ramelot
Keith J. Fraga
James H. Prestegard
Michael A. Kennedy
Gaetan0 T. Montelione

Repository Contents

Each target folder contains PDB coordinates, AF2 coordinates, BMRB chemical shift list, NOESY peak list, PSVS reports, RPF reports, and RDC Data (only 2KZV)

  • PDB coordinates are titled ["ID".pdb]
  • AF2 coordinates [AFall_"ID".pdb]
  • Chemical shifts in BMRB format [bmr#####_3.str.txt]
  • NOESY peak lists ["n15, c13aro/ali, 3D/4Dc"noesy.txt]
  • PSVS Reports [NAME_"ID"_"Method".zip]
  • RPF Reports [rpf_"ID"_"Method"_timedata.zip]
  • RDC Data (2kzv only)[2KZV_realexample.tgz]
  • NMR Restraints ["ID".mr (ver 1) or "ID"_mr.str (ver 2)]

FID links:
2HEQ https://bmrb.io/ftp/pub/bmrb/entry_directories/bmr7175/timedomain_data/
2KBN https://bmrb.io/ftp/pub/bmrb/entry_directories/bmr16051/timedomain_data/
2KHD https://bmrb.io/ftp/pub/bmrb/entry_directories/bmr16238/timedomain_data/
2KIW https://bmrb.io/ftp/pub/bmrb/entry_directories/bmr16298/timedomain_data/
2KJR https://bmrb.io/ftp/pub/bmrb/entry_directories/bmr16338/timedomain_data/
2KOB https://bmrb.io/ftp/pub/bmrb/entry_directories/bmr16498/timedomain_data/
2KZV https://bmrb.io/ftp/pub/bmrb/entry_directories/bmr17020/timedomain_data/
2MA6 https://bmrb.io/ftp/pub/bmrb/entry_directories/bmr19329/timedomain_data/
2RN7 https://bmrb.io/ftp/pub/bmrb/entry_directories/bmr11017/timedomain_data/