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Structural statistics of the DEAF-1 MYND domain.

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Figshare2015-12-02 更新2026-04-29 收录
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https://figshare.com/articles/dataset/_Structural_statistics_of_the_DEAF_1_MYND_domain_/170824
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Statistics are given for the 20 lowest energy structures after water refinement out of 100 calculated.1Distance restraints were derived from NOE peak intensities using CYANA [31], and then introduced as unambiguous distances in CNS. No distance restraint was violated by more than 0.5 Å.2Torsion angles were predicted using TALOS+ [30]. No dihedral angle restraint was violated by more than 5°.3RDC restraints were incorporated using a harmonic potential. Force constants of 0.2, 0.1, 0.3, and 0.6 kcal mol−1 Hz−2 for HHN, NC′, HNC′ and Hα Cα respectively, were used to reflect the estimated error in the measurement.4Ramachandran plot statistics were obtained using PROCHECK [64] for residues 502–541.
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