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Results for submission 1H, 13C, and 15N resonance assignments of subunit F of the A1AO ATP synthase from Methanosarcina mazei Go1.

BMRB ID: 15046

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Graph for 1H, 13C, and 15N resonance assignments of subunit F of the A1AO ATP synthase from Methanosarcina mazei Go1

Lowest energy structure: S_03196

RMSD against lowest energy structure for all residues

StructureScore
S_03196.pdb3.6468
S_05609.pdb3.5120
S_05580.pdb2.7452
S_03522.pdb4.9400
S_07459.pdb4.6096
S_04087.pdb3.0887
S_04773.pdb2.8143
S_00311.pdb4.2499
S_00669.pdb4.4619
S_09170.pdb2.5375
Averaged Ca-rmsd3.661 +/- 0.862

RMSD against lowest energy structure for residues 8-88

StructureScore
S_03196.pdb1.2713
S_05609.pdb1.1503
S_05580.pdb1.0290
S_03522.pdb1.4160
S_07459.pdb1.9246
S_04087.pdb1.4873
S_04773.pdb1.0150
S_00311.pdb2.0485
S_00669.pdb1.4030
S_09170.pdb1.6443
Averaged Ca-rmsd1.439 +/- 0.352

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