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Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.
Monomer-dimer equilibrium for 5'-5' stacking of propeller-type parallel-stranded G-quadruplexes: NMR structural study

Results of the assignment of 170 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
0012lk7-m10_A_DT1_DT2NANNANT01.86OP19
0022lk7-m1_A_DT1_DT2NANNANT01.37OP05
0032lk7-m2_A_DT1_DT2NANNANT01.86OP19
0042lk7-m3_A_DT1_DT2NANNANT01.44OP05
0052lk7-m4_A_DT1_DT2NANNANT00.58OP10
0062lk7-m5_A_DT1_DT2NANNANT00.51OP10
0072lk7-m6_A_DT1_DT2NANNANT00.87IC05
0082lk7-m7_A_DT1_DT2NANNANT00.61OP10
0092lk7-m8_A_DT1_DT2NANNANT00.52OP10
0102lk7-m9_A_DT1_DT2NANNANT01.09IC05
0112lk7-m10_A_DT2_DG3NANNANT01.43OP19
0122lk7-m1_A_DT2_DG3NANNANT01.26OP19
0132lk7-m2_A_DT2_DG3NANNANT01.42OP19
0142lk7-m3_A_DT2_DG3NANNANT01.50OP19
0152lk7-m4_A_DT2_DG3NANNANT01.31OP19
0162lk7-m5_A_DT2_DG3NANNANT01.51OP19
0172lk7-m6_A_DT2_DG3NANNANT01.29OP19
0182lk7-m7_A_DT2_DG3NANNANT01.32OP19
0192lk7-m8_A_DT2_DG3NANNANT01.37OP19
0202lk7-m9_A_DT2_DG3NANNANT01.26OP19
0212lk7-m10_A_DG3_DG4BBBBB01580.29BB01
0222lk7-m1_A_DG3_DG4BBBBB01510.34BB01
0232lk7-m2_A_DG3_DG4BBBBB01610.26BB01
0242lk7-m3_A_DG3_DG4BBBBB01470.32BB01
0252lk7-m4_A_DG3_DG4BBBBB01640.25BB01
0262lk7-m5_A_DG3_DG4BBBBB01450.34BB01
0272lk7-m6_A_DG3_DG4BBBBB01470.36BB01
0282lk7-m7_A_DG3_DG4BBBBB00420.27BB00
0292lk7-m8_A_DG3_DG4BBBBB00480.34BB00
0302lk7-m9_A_DG3_DG4BBBBB00500.33BB00
0312lk7-m10_A_DG4_DG5BBBBB00380.30BB00
0322lk7-m1_A_DG4_DG5BBBBB00430.24BB00
0332lk7-m2_A_DG4_DG5BBBBB00410.27BB00
0342lk7-m3_A_DG4_DG5BBBBB00460.24BB00
0352lk7-m4_A_DG4_DG5BBBBB01550.20BB01
0362lk7-m5_A_DG4_DG5BBBBB00470.26BB00
0372lk7-m6_A_DG4_DG5BBBBB00420.25BB00
0382lk7-m7_A_DG4_DG5BBBBB00320.33BB00
0392lk7-m8_A_DG4_DG5BBBBB00460.28BB00
0402lk7-m9_A_DG4_DG5BBBBB00480.24BB00
0412lk7-m10_A_DG5_DT6NANNANT01.45OP21
0422lk7-m1_A_DG5_DT6NANNANT01.22OP21
0432lk7-m2_A_DG5_DT6NANNANT01.69OP17
0442lk7-m3_A_DG5_DT6NANNANT02.31OP19
0452lk7-m4_A_DG5_DT6NANNANT01.31OP21
0462lk7-m5_A_DG5_DT6NANNANT00.89OP21
0472lk7-m6_A_DG5_DT6NANNANT01.29OP21
0482lk7-m7_A_DG5_DT6NANNANT01.00OP21
0492lk7-m8_A_DG5_DT6NANNANT00.99OP21
0502lk7-m9_A_DG5_DT6NANNANT01.32OP21
0512lk7-m10_A_DT6_DG7NANNANT01.58IC03
0522lk7-m1_A_DT6_DG7NANNANT01.68OP13
0532lk7-m2_A_DT6_DG7NANNANT01.71OP06
0542lk7-m3_A_DT6_DG7NANNANT01.58OP06
0552lk7-m4_A_DT6_DG7NANNANT01.68IC03
0562lk7-m5_A_DT6_DG7NANNANT01.49OP13
0572lk7-m6_A_DT6_DG7NANNANT01.71IC03
0582lk7-m7_A_DT6_DG7NANNANT01.57OP13
0592lk7-m8_A_DT6_DG7NANNANT01.46OP13
0602lk7-m9_A_DT6_DG7NANNANT02.06OP06
0612lk7-m10_A_DG7_DG8NANNANT00.69AA01
0622lk7-m1_A_DG7_DG8BBBBB00330.32BB00
0632lk7-m2_A_DG7_DG8BB1BB16210.65BB16
0642lk7-m3_A_DG7_DG8NANNANT00.65AA01
0652lk7-m4_A_DG7_DG8BB1BB16200.61BB16
0662lk7-m5_A_DG7_DG8BB1BB16340.42BB16
0672lk7-m6_A_DG7_DG8BB1BB16350.46BB16
0682lk7-m7_A_DG7_DG8ICLIC06290.47IC06
0692lk7-m8_A_DG7_DG8BB1BB16310.39BB16
0702lk7-m9_A_DG7_DG8BB1BB16430.46BB16
0712lk7-m10_A_DG8_DG9BB1BB16320.61BB16
0722lk7-m1_A_DG8_DG9BBBBB01470.33BB01
0732lk7-m2_A_DG8_DG9BBBBB00300.30BB00
0742lk7-m3_A_DG8_DG9BBBBB0070.35BB00
0752lk7-m4_A_DG8_DG9BBBBB00290.31BB00
0762lk7-m5_A_DG8_DG9BBBBB00370.26BB00
0772lk7-m6_A_DG8_DG9BBBBB01560.20BB01
0782lk7-m7_A_DG8_DG9BBBBB01480.21BB01
0792lk7-m8_A_DG8_DG9BBBBB00370.25BB00
0802lk7-m9_A_DG8_DG9BBBBB01550.27BB01
0812lk7-m10_A_DG9_DT10NANNANT02.75IC02
0822lk7-m1_A_DG9_DT10NANNANT02.52OP19
0832lk7-m2_A_DG9_DT10NANNANT02.49OP19
0842lk7-m3_A_DG9_DT10NANNANT01.15OP21
0852lk7-m4_A_DG9_DT10NANNANT01.14OP21
0862lk7-m5_A_DG9_DT10NANNANT01.07OP21
0872lk7-m6_A_DG9_DT10NANNANT01.27OP21
0882lk7-m7_A_DG9_DT10NANNANT01.06OP21
0892lk7-m8_A_DG9_DT10NANNANT02.42OP19
0902lk7-m9_A_DG9_DT10NANNANT01.42OP21
0912lk7-m10_A_DT10_DG11NANNANT01.97OP16
0922lk7-m1_A_DT10_DG11NANNANT01.22OP13
0932lk7-m2_A_DT10_DG11NANNANT01.16OP13
0942lk7-m3_A_DT10_DG11NANNANT01.36OP21
0952lk7-m4_A_DT10_DG11NANNANT01.49OP11
0962lk7-m5_A_DT10_DG11NANNANT02.27IC03
0972lk7-m6_A_DT10_DG11NANNANT01.28OP21
0982lk7-m7_A_DT10_DG11NANNANT02.17IC03
0992lk7-m8_A_DT10_DG11NANNANT01.73OP19
1002lk7-m9_A_DT10_DG11NANNANT01.55IC03
1012lk7-m10_A_DG11_DG12BBBBB00140.40BB00
1022lk7-m1_A_DG11_DG12BBBBB00140.44BB00
1032lk7-m2_A_DG11_DG12BB1BB16350.48BB16
1042lk7-m3_A_DG11_DG12BB1BB16340.47BB16
1052lk7-m4_A_DG11_DG12BB1BB16480.41BB16
1062lk7-m5_A_DG11_DG12BB1BB16460.44BB16
1072lk7-m6_A_DG11_DG12BBBBB00310.32BB00
1082lk7-m7_A_DG11_DG12BB1BB16500.44BB16
1092lk7-m8_A_DG11_DG12BBBBB00120.41BB00
1102lk7-m9_A_DG11_DG12BB1BB16390.55BB16
1112lk7-m10_A_DG12_DG13BBBBB00380.31BB00
1122lk7-m1_A_DG12_DG13BBBBB00300.32BB00
1132lk7-m2_A_DG12_DG13BBBBB00350.32BB00
1142lk7-m3_A_DG12_DG13BBBBB00370.26BB00
1152lk7-m4_A_DG12_DG13BBBBB00430.27BB00
1162lk7-m5_A_DG12_DG13BBBBB00460.25BB00
1172lk7-m6_A_DG12_DG13BBBBB00460.30BB00
1182lk7-m7_A_DG12_DG13BBBBB00420.29BB00
1192lk7-m8_A_DG12_DG13BBBBB00280.32BB00
1202lk7-m9_A_DG12_DG13BBBBB00380.33BB00
1212lk7-m10_A_DG13_DT14NANNANT01.37OP21
1222lk7-m1_A_DG13_DT14NANNANT01.18OP21
1232lk7-m2_A_DG13_DT14NANNANT01.07OP21
1242lk7-m3_A_DG13_DT14NANNANT01.28OP21
1252lk7-m4_A_DG13_DT14NANNANT02.33OP19
1262lk7-m5_A_DG13_DT14NANNANT00.94OP21
1272lk7-m6_A_DG13_DT14NANNANT01.07OP21
1282lk7-m7_A_DG13_DT14NANNANT01.22OP21
1292lk7-m8_A_DG13_DT14NANNANT01.07OP16
1302lk7-m9_A_DG13_DT14NANNANT01.13OP21
1312lk7-m10_A_DT14_DG15NANNANT01.54IC03
1322lk7-m1_A_DT14_DG15NANNANT01.76IC03
1332lk7-m2_A_DT14_DG15NANNANT01.57OP13
1342lk7-m3_A_DT14_DG15NANNANT01.68OP13
1352lk7-m4_A_DT14_DG15NANNANT01.52OP21
1362lk7-m5_A_DT14_DG15NANNANT02.35OP10
1372lk7-m6_A_DT14_DG15NANNANT01.63OP13
1382lk7-m7_A_DT14_DG15NANNANT01.46OP13
1392lk7-m8_A_DT14_DG15NANNANT01.42OP21
1402lk7-m9_A_DT14_DG15NANNANT01.50OP21
1412lk7-m10_A_DG15_DG16BB1BB16480.57BB16
1422lk7-m1_A_DG15_DG16BB1BB16490.34BB16
1432lk7-m2_A_DG15_DG16BB1BB16600.42BB16
1442lk7-m3_A_DG15_DG16BBBBB00260.42BB00
1452lk7-m4_A_DG15_DG16BB1BB16510.46BB16
1462lk7-m5_A_DG15_DG16BBBBB00260.43BB00
1472lk7-m6_A_DG15_DG16BB1BB16510.37BB16
1482lk7-m7_A_DG15_DG16BB1BB16520.43BB16
1492lk7-m8_A_DG15_DG16BB1BB16590.47BB16
1502lk7-m9_A_DG15_DG16BBBBB00260.38BB00
1512lk7-m10_A_DG16_DG17BBBBB01730.15BB01
1522lk7-m1_A_DG16_DG17BBBBB00180.27BB00
1532lk7-m2_A_DG16_DG17BBBBB00470.23BB00
1542lk7-m3_A_DG16_DG17BBBBB00460.23BB00
1552lk7-m4_A_DG16_DG17BBBBB01530.20BB01
1562lk7-m5_A_DG16_DG17BBBBB01330.24BB01
1572lk7-m6_A_DG16_DG17BBBBB01550.18BB01
1582lk7-m7_A_DG16_DG17BBBBB00340.28BB00
1592lk7-m8_A_DG16_DG17BBBBB00460.25BB00
1602lk7-m9_A_DG16_DG17BBBBB00440.28BB00
1612lk7-m10_A_DG17_DT18BBBBB0090.44BB00
1622lk7-m1_A_DG17_DT18BBBBB00100.45BB00
1632lk7-m2_A_DG17_DT18NANNANT00.86BB16
1642lk7-m3_A_DG17_DT18NANNANT00.97BB16
1652lk7-m4_A_DG17_DT18BBBBB00410.35BB00
1662lk7-m5_A_DG17_DT18BBBBB00390.32BB00
1672lk7-m6_A_DG17_DT18BBBBB00110.61BB00
1682lk7-m7_A_DG17_DT18BBBBB00180.55BB00
1692lk7-m8_A_DG17_DT18BBBBB00310.47BB00
1702lk7-m9_A_DG17_DT18NANNANT00.65BB00

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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