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A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Results for submission NMR assignment of a KlbA intein precursor from Methanococcus jannaschii.

BMRB ID: 15061

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Graph for NMR assignment of a KlbA intein precursor from Methanococcus jannaschii

Lowest energy structure: S_0004_270_0001

RMSD against lowest energy structure for all residues

StructureScore
S_0004_270_0001.pdb5.2407
S_0007_479_0001.pdb6.1734
S_0008_379_0001.pdb5.2044
S_0010_195_0001.pdb6.6729
S_0004_390_0001.pdb6.3918
S_0008_341_0001.pdb9.7774
S_0004_209_0001.pdb7.2248
S_0005_539_0001.pdb10.2334
S_0008_352_0001.pdb7.8465
S_0012_4_0001.pdb7.4814
Averaged Ca-rmsd7.225 +/- 1.704

RMSD against lowest energy structure for residues 76-106, 108-148, 165-165

StructureScore
S_0004_270_0001.pdb1.8048
S_0007_479_0001.pdb2.1795
S_0008_379_0001.pdb1.7905
S_0010_195_0001.pdb2.3356
S_0004_390_0001.pdb2.3649
S_0008_341_0001.pdb2.3423
S_0004_209_0001.pdb2.1865
S_0005_539_0001.pdb2.5921
S_0008_352_0001.pdb2.2644
S_0012_4_0001.pdb2.4449
Averaged Ca-rmsd2.231 +/- 0.258

This entry was calculated with Rosetta version 3.5 and version 3.2 of the CS-Rosetta Toolbox.

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Citation information:

"Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples" Oliver F. Lange; Paolo Rossi; Nikolaos G. Sgourakis; Yifan Song; Hsiau-Wei Lee; James M. Aramini; Asli Ertekin; Rong Xiao; Thomas B. Acton; Gaetano T. Montelione; David Baker; Proceedings of the National Academy of Sciences 109(27) 10873-10878 (2012) doi: 10.1073/pnas.1203013109

"De novo structure generation using chemical shifts for proteins with high-sequence identity but different folds," Yang Shen; Philip N. Bryan; Yanan He; John Orban; David Baker; Ad Bax; Protein Science 19, 349-356 (2010) doi: 10.1002/pro.303

"De novo protein structure generation from incomplete chemical shift assignments," Yang Shen; Robert Vernon; David Baker; Ad Bax; J. Biomol. NMR 43, 63-78 (2009) doi: 10.1007/s10858-008-9288-5

"Consistent blind protein structure generation from NMR chemical shift data," Yang Shen; Oliver Lange; Frank Delaglio; Paolo Rossi; James M. Aramini; Gaohua Liu; Alexander Eletsky; Yibing Wu; Kiran K. Singarapu; Alexander Lemak; Alexandr Ignatchenko; Cheryl H. Arrowsmith; Thomas Szyperski; Gaetano T. Montelione; David Baker; Ad Bax; Proceedings of the National Academy of Sciences 105(12) 4685-4690 (2008) doi: 10.1073/pnas.0800256105