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Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.
Dimeric DNA Quadruplex Containing Major Groove-Aligned A.T.A.T and G.C.G.C Tetrads Stabilized by Inter-Subunit Watson-Crick A:T and G:C Pairs

Results of the assignment of 140 detected steps in 10 model(s), can be also downloaded as csv 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
0011jvc-m10_A_DG1_DA2NANNANT01.87OP18
0021jvc-m1_A_DG1_DA2NANNANT01.72AA11
0031jvc-m2_A_DG1_DA2NANNANT01.74AA11
0041jvc-m3_A_DG1_DA2NANNANT01.56BB08
0051jvc-m4_A_DG1_DA2NANNANT01.59BB08
0061jvc-m5_A_DG1_DA2NANNANT01.78BB02
0071jvc-m6_A_DG1_DA2NANNANT01.56BB08
0081jvc-m7_A_DG1_DA2NANNANT01.53BB08
0091jvc-m8_A_DG1_DA2NANNANT00.85OP09
0101jvc-m9_A_DG1_DA2NANNANT01.89AAS1
0111jvc-m10_A_DA2_DG3NANNANT00.69BB14
0121jvc-m1_A_DA2_DG3NANNANT00.67AB02
0131jvc-m2_A_DA2_DG3NANNANT00.67AB02
0141jvc-m3_A_DA2_DG3NANNANT00.75AB02
0151jvc-m4_A_DA2_DG3NANNANT00.78BB14
0161jvc-m5_A_DA2_DG3NANNANT00.78BB14
0171jvc-m6_A_DA2_DG3NANNANT00.74BB14
0181jvc-m7_A_DA2_DG3NANNANT00.75BB14
0191jvc-m8_A_DA2_DG3NANNANT00.82AB02
0201jvc-m9_A_DA2_DG3NANNANT00.72AB02
0211jvc-m10_A_DG3_DC4NANNANT00.84AB02
0221jvc-m1_A_DG3_DC4NANNANT00.82AB02
0231jvc-m2_A_DG3_DC4NANNANT00.82AB02
0241jvc-m3_A_DG3_DC4NANNANT00.82AB02
0251jvc-m4_A_DG3_DC4NANNANT00.81AB02
0261jvc-m5_A_DG3_DC4NANNANT00.85AB02
0271jvc-m6_A_DG3_DC4NANNANT00.82AB02
0281jvc-m7_A_DG3_DC4NANNANT00.80AB02
0291jvc-m8_A_DG3_DC4NANNANT00.85AB02
0301jvc-m9_A_DG3_DC4NANNANT00.84AB02
0311jvc-m10_A_DC4_DA5NANNANT01.53AA11
0321jvc-m1_A_DC4_DA5NANNANT01.58AA01
0331jvc-m2_A_DC4_DA5NANNANT01.64AA01
0341jvc-m3_A_DC4_DA5NANNANT01.65AA01
0351jvc-m4_A_DC4_DA5NANNANT01.69AA04
0361jvc-m5_A_DC4_DA5NANNANT01.85AB04
0371jvc-m6_A_DC4_DA5NANNANT01.12ZZ01
0381jvc-m7_A_DC4_DA5NANNANT01.08ZZ01
0391jvc-m8_A_DC4_DA5NANNANT01.82AB04
0401jvc-m9_A_DC4_DA5NANNANT01.48AA11
0411jvc-m10_A_DA5_DG6NANNANT01.43IC06
0421jvc-m1_A_DA5_DG6NANNANT01.67AA13
0431jvc-m2_A_DA5_DG6NANNANT01.42IC06
0441jvc-m3_A_DA5_DG6NANNANT02.58OP18
0451jvc-m4_A_DA5_DG6NANNANT01.38IC06
0461jvc-m5_A_DA5_DG6NANNANT01.85AA11
0471jvc-m6_A_DA5_DG6NANNANT01.88BB17
0481jvc-m7_A_DA5_DG6NANNANT01.42IC06
0491jvc-m8_A_DA5_DG6NANNANT01.35IC06
0501jvc-m9_A_DA5_DG6NANNANT01.37IC06
0511jvc-m10_A_DG6_DG7NANNANT00.58AB02
0521jvc-m1_A_DG6_DG7NANNANT00.62AB02
0531jvc-m2_A_DG6_DG7NANNANT00.59AB02
0541jvc-m3_A_DG6_DG7NANNANT00.61AB02
0551jvc-m4_A_DG6_DG7NANNANT00.69BB08
0561jvc-m5_A_DG6_DG7NANNANT00.57AB02
0571jvc-m6_A_DG6_DG7NANNANT00.66AB02
0581jvc-m7_A_DG6_DG7NANNANT00.52BA17
0591jvc-m8_A_DG6_DG7NANNANT00.61AB02
0601jvc-m9_A_DG6_DG7NANNANT00.60AB02
0611jvc-m10_A_DG7_DT8NANNANT00.40BB08
0621jvc-m1_A_DG7_DT8NANNANT00.69AB02
0631jvc-m2_A_DG7_DT8NANNANT00.69AB02
0641jvc-m3_A_DG7_DT8NANNANT00.69AB02
0651jvc-m4_A_DG7_DT8BB2BB07640.35BB07
0661jvc-m5_A_DG7_DT8BB2BB07600.36BB07
0671jvc-m6_A_DG7_DT8NANNANT00.41BB08
0681jvc-m7_A_DG7_DT8BB2BB07550.36BB07
0691jvc-m8_A_DG7_DT8NANNANT00.68AB02
0701jvc-m9_A_DG7_DT8NANNANT00.43BB08
0711jvc-m10_B_DG1_DA2NANNANT01.87OP18
0721jvc-m1_B_DG1_DA2NANNANT01.72AA11
0731jvc-m2_B_DG1_DA2NANNANT01.74AA11
0741jvc-m3_B_DG1_DA2NANNANT01.56BB08
0751jvc-m4_B_DG1_DA2NANNANT01.59BB08
0761jvc-m5_B_DG1_DA2NANNANT01.78BB02
0771jvc-m6_B_DG1_DA2NANNANT01.56BB08
0781jvc-m7_B_DG1_DA2NANNANT01.53BB08
0791jvc-m8_B_DG1_DA2NANNANT00.85OP09
0801jvc-m9_B_DG1_DA2NANNANT01.89AAS1
0811jvc-m10_B_DA2_DG3NANNANT00.69BB14
0821jvc-m1_B_DA2_DG3NANNANT00.67AB02
0831jvc-m2_B_DA2_DG3NANNANT00.67AB02
0841jvc-m3_B_DA2_DG3NANNANT00.75AB02
0851jvc-m4_B_DA2_DG3NANNANT00.78BB14
0861jvc-m5_B_DA2_DG3NANNANT00.78BB14
0871jvc-m6_B_DA2_DG3NANNANT00.74BB14
0881jvc-m7_B_DA2_DG3NANNANT00.75BB14
0891jvc-m8_B_DA2_DG3NANNANT00.82AB02
0901jvc-m9_B_DA2_DG3NANNANT00.72AB02
0911jvc-m10_B_DG3_DC4NANNANT00.84AB02
0921jvc-m1_B_DG3_DC4NANNANT00.82AB02
0931jvc-m2_B_DG3_DC4NANNANT00.82AB02
0941jvc-m3_B_DG3_DC4NANNANT00.82AB02
0951jvc-m4_B_DG3_DC4NANNANT00.81AB02
0961jvc-m5_B_DG3_DC4NANNANT00.85AB02
0971jvc-m6_B_DG3_DC4NANNANT00.82AB02
0981jvc-m7_B_DG3_DC4NANNANT00.80AB02
0991jvc-m8_B_DG3_DC4NANNANT00.85AB02
1001jvc-m9_B_DG3_DC4NANNANT00.84AB02
1011jvc-m10_B_DC4_DA5NANNANT01.53AA11
1021jvc-m1_B_DC4_DA5NANNANT01.58AA01
1031jvc-m2_B_DC4_DA5NANNANT01.64AA01
1041jvc-m3_B_DC4_DA5NANNANT01.65AA01
1051jvc-m4_B_DC4_DA5NANNANT01.69AA04
1061jvc-m5_B_DC4_DA5NANNANT01.85AB04
1071jvc-m6_B_DC4_DA5NANNANT01.12ZZ01
1081jvc-m7_B_DC4_DA5NANNANT01.08ZZ01
1091jvc-m8_B_DC4_DA5NANNANT01.82AB04
1101jvc-m9_B_DC4_DA5NANNANT01.48AA11
1111jvc-m10_B_DA5_DG6NANNANT01.43IC06
1121jvc-m1_B_DA5_DG6NANNANT01.67AA13
1131jvc-m2_B_DA5_DG6NANNANT01.42IC06
1141jvc-m3_B_DA5_DG6NANNANT02.58OP18
1151jvc-m4_B_DA5_DG6NANNANT01.38IC06
1161jvc-m5_B_DA5_DG6NANNANT01.85AA11
1171jvc-m6_B_DA5_DG6NANNANT01.88BB17
1181jvc-m7_B_DA5_DG6NANNANT01.42IC06
1191jvc-m8_B_DA5_DG6NANNANT01.35IC06
1201jvc-m9_B_DA5_DG6NANNANT01.37IC06
1211jvc-m10_B_DG6_DG7NANNANT00.58AB02
1221jvc-m1_B_DG6_DG7NANNANT00.62AB02
1231jvc-m2_B_DG6_DG7NANNANT00.59AB02
1241jvc-m3_B_DG6_DG7NANNANT00.61AB02
1251jvc-m4_B_DG6_DG7NANNANT00.69BB08
1261jvc-m5_B_DG6_DG7NANNANT00.57AB02
1271jvc-m6_B_DG6_DG7NANNANT00.66AB02
1281jvc-m7_B_DG6_DG7NANNANT00.52BA17
1291jvc-m8_B_DG6_DG7NANNANT00.61AB02
1301jvc-m9_B_DG6_DG7NANNANT00.60AB02
1311jvc-m10_B_DG7_DT8NANNANT00.40BB08
1321jvc-m1_B_DG7_DT8NANNANT00.69AB02
1331jvc-m2_B_DG7_DT8NANNANT00.69AB02
1341jvc-m3_B_DG7_DT8NANNANT00.69AB02
1351jvc-m4_B_DG7_DT8BB2BB07640.35BB07
1361jvc-m5_B_DG7_DT8BB2BB07600.36BB07
1371jvc-m6_B_DG7_DT8NANNANT00.41BB08
1381jvc-m7_B_DG7_DT8BB2BB07550.36BB07
1391jvc-m8_B_DG7_DT8NANNANT00.68AB02
1401jvc-m9_B_DG7_DT8NANNANT00.43BB08

Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.

© Jiří Černý & Bohdan Schneider

Definition of torsion angles
step:
Table of conformers

δεζα1β1γ1δ1χχ1NCCNNNCC
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

Drag the plot for panning, scroll to zoom, click a point to show superposition in JSmol.

Download

Results (as csv)
Restraints (default edits file)
Best NtC fitted to input structure.

Definition of the conformers as torsion averages (csv) and their esd values (csv) or as their Cartesian coordinates of the 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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Color by NtC (balls)

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IC

OPN

Z

N