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Results for submission Dynamics and Calcium-Dependent Actin Bundling by the two Carboxy Terminal Domains of Villin.

BMRB ID: 15097

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Graph for Dynamics and Calcium-Dependent Actin Bundling by the two Carboxy Terminal Domains of Villin

Lowest energy structure: S_01387

RMSD against lowest energy structure for all residues

StructureScore
S_01387.pdb11.1976
S_04808.pdb14.3188
S_08068.pdb12.5257
S_07141.pdb13.3024
S_00557.pdb12.7344
S_01443.pdb13.7240
S_04179.pdb13.2057
S_06937.pdb11.0716
S_05784.pdb12.5782
S_02074.pdb12.6534
Averaged Ca-rmsd12.731 +/- 1.013

RMSD against lowest energy structure for residues 27-32, 43-54, 81-82

StructureScore
S_01387.pdb3.0086
S_04808.pdb3.2373
S_08068.pdb3.0721
S_07141.pdb3.2151
S_00557.pdb3.1119
S_01443.pdb3.0431
S_04179.pdb3.1895
S_06937.pdb3.8519
S_05784.pdb3.3216
S_02074.pdb4.3826
Averaged Ca-rmsd3.343 +/- 0.437

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