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Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.

©Jiří Černý & Bohdan Schneider

NMR Spectroscopy and Molecular Dynamics Simulation of r(CCGCUGCGG)2 Reveal a Dynamic UU Internal Loop Found in Myotonic Dystrophy Type 1 - UU pair with zero hydrogen bond pairs

Results of the assignment of 16 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

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Click a row in table or a step in JSmol for analysis of results. Click column headers to sort data.
step numberStep nameCANANtCconfalrmsd
012l8c_A_C1_C2AAAAA00230.42AA00
022l8c_A_C2_G3AAAAA00740.24AA00
032l8c_A_G3_C4AAwAA01450.35AA01
042l8c_A_C4_U5AAAAA00460.46AA00
052l8c_A_U5_G6AAwAA01730.36AA01
062l8c_A_G6_C7AAwAA01580.23AA01
072l8c_A_C7_G8AAuAA12400.34AA12
082l8c_A_G8_G9AAAAA00640.22AA00
092l8c_B_C10_C11AAAAA00600.45AA00
102l8c_B_C11_G12AAwAA01360.27AA01
112l8c_B_G12_C13AAAAA00110.50AA00
122l8c_B_C13_U14AAwAA01430.54AA01
132l8c_B_U14_G15AAAAA00450.46AA00
142l8c_B_G15_C16AAAAA00740.41AA00
152l8c_B_C16_G17AAwAA01680.50AA01
162l8c_B_G17_G18AAAAA00200.31AA00

Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.
Definition of torsion angles
step:
Table of conformers

δ1ε1ζ1α2β2γ2δ2χ1χ2μNNCC
step_torsions
ntC_average
Δ torsions
torsion scores

commentsstep confal = NaN
cartesian RMSD = NaN Å
pseudorotation: NA
details: NA

Similarity of step to class averages

Download

Results as csv or json file.
Restraints file for Phenix (steps with RMSD <= 0.5Å)
Restraints file for REFMAC (steps with RMSD <= 0.5Å)
Commands file for MMB (steps with RMSD <= 0.5Å)
Best NtC fitted to input structure.

Definitions

Average parameters (csv), esd values (csv), and Cartesian coordinates of conformers.

Download the papers

Description of DNATCO server:
Černý et al., Nucleic Acids Research, 44, W284 (2016).
Definition of conformers:
Schneider et al., Acta Cryst D, 74, 52-64 (2018).
Example of application:
Schneider et al., Genes, 8(10), 278, (2017).

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