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Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.
M2 G-quadruplex 10 wt% PEG8000

Results of the assignment of 190 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
0015nyu-m10_A_DT1_DA2NANNANT01.58BB03
0025nyu-m1_A_DT1_DA2NANNANT01.48BB08
0035nyu-m2_A_DT1_DA2NANNANT01.48BB08
0045nyu-m3_A_DT1_DA2NANNANT01.48BB08
0055nyu-m4_A_DT1_DA2NANNANT01.59BB03
0065nyu-m5_A_DT1_DA2NANNANT01.54BB03
0075nyu-m6_A_DT1_DA2NANNANT01.48BB08
0085nyu-m7_A_DT1_DA2NANNANT01.48BB08
0095nyu-m8_A_DT1_DA2NANNANT01.60BB03
0105nyu-m9_A_DT1_DA2NANNANT01.48BB08
0115nyu-m10_A_DA2_DG3BB2BB07280.40BB07
0125nyu-m1_A_DA2_DG3BB2BB07270.44BB07
0135nyu-m2_A_DA2_DG3BB2BB07240.46BB07
0145nyu-m3_A_DA2_DG3B12BB04320.55BB04
0155nyu-m4_A_DA2_DG3B12BB04320.56BB04
0165nyu-m5_A_DA2_DG3B12BB04330.53BB04
0175nyu-m6_A_DA2_DG3BB2BB07250.46BB07
0185nyu-m7_A_DA2_DG3B12BB04330.56BB04
0195nyu-m8_A_DA2_DG3BB2BB07340.41BB07
0205nyu-m9_A_DA2_DG3BB2BB07270.45BB07
0215nyu-m10_A_DG3_DG4BBBBB00730.22BB00
0225nyu-m1_A_DG3_DG4BBBBB01680.24BB01
0235nyu-m2_A_DG3_DG4BBBBB00680.25BB00
0245nyu-m3_A_DG3_DG4BBBBB01700.27BB01
0255nyu-m4_A_DG3_DG4BBBBB01640.31BB01
0265nyu-m5_A_DG3_DG4BBBBB00720.23BB00
0275nyu-m6_A_DG3_DG4BBBBB01660.27BB01
0285nyu-m7_A_DG3_DG4BBBBB01660.30BB01
0295nyu-m8_A_DG3_DG4BBBBB01740.24BB01
0305nyu-m9_A_DG3_DG4BBBBB01690.27BB01
0315nyu-m10_A_DG4_DG5BBBBB00120.46BB00
0325nyu-m1_A_DG4_DG5BBBBB00180.43BB00
0335nyu-m2_A_DG4_DG5BBBBB00180.41BB00
0345nyu-m3_A_DG4_DG5BBBBB00110.44BB00
0355nyu-m4_A_DG4_DG5BBBBB00240.36BB00
0365nyu-m5_A_DG4_DG5BBBBB00170.43BB00
0375nyu-m6_A_DG4_DG5BBBBB00190.41BB00
0385nyu-m7_A_DG4_DG5BBBBB00250.36BB00
0395nyu-m8_A_DG4_DG5BBBBB00180.42BB00
0405nyu-m9_A_DG4_DG5BBBBB00120.45BB00
0415nyu-m10_A_DG5_DA6NANNANT01.42OP19
0425nyu-m1_A_DG5_DA6NANNANT01.42OP19
0435nyu-m2_A_DG5_DA6NANNANT01.43OP19
0445nyu-m3_A_DG5_DA6NANNANT01.41BB07
0455nyu-m4_A_DG5_DA6NANNANT01.42BB07
0465nyu-m5_A_DG5_DA6NANNANT01.42OP19
0475nyu-m6_A_DG5_DA6NANNANT01.43OP19
0485nyu-m7_A_DG5_DA6NANNANT01.42BB07
0495nyu-m8_A_DG5_DA6NANNANT01.42OP19
0505nyu-m9_A_DG5_DA6NANNANT01.42OP19
0515nyu-m10_A_DA6_DC7NANNANT01.75BB15
0525nyu-m1_A_DA6_DC7NANNANT01.75BB15
0535nyu-m2_A_DA6_DC7NANNANT01.81BB15
0545nyu-m3_A_DA6_DC7NANNANT01.82BB15
0555nyu-m4_A_DA6_DC7NANNANT01.24OP09
0565nyu-m5_A_DA6_DC7NANNANT01.28OP09
0575nyu-m6_A_DA6_DC7NANNANT01.82BB15
0585nyu-m7_A_DA6_DC7NANNANT01.24OP09
0595nyu-m8_A_DA6_DC7NANNANT01.25OP09
0605nyu-m9_A_DA6_DC7NANNANT01.25OP09
0615nyu-m10_A_DC7_DG8NANNANT00.81IC02
0625nyu-m1_A_DC7_DG8NANNANT00.82IC02
0635nyu-m2_A_DC7_DG8NANNANT01.31IC04
0645nyu-m3_A_DC7_DG8NANNANT00.79IC02
0655nyu-m4_A_DC7_DG8NANNANT01.56OP20
0665nyu-m5_A_DC7_DG8NANNANT01.56OP20
0675nyu-m6_A_DC7_DG8NANNANT01.31IC04
0685nyu-m7_A_DC7_DG8NANNANT01.56OP20
0695nyu-m8_A_DC7_DG8NANNANT01.57OP20
0705nyu-m9_A_DC7_DG8NANNANT01.57OP20
0715nyu-m10_A_DG8_DG9BBBBB01470.32BB01
0725nyu-m1_A_DG8_DG9BBBBB01540.32BB01
0735nyu-m2_A_DG8_DG9BB1BB16250.39BB16
0745nyu-m3_A_DG8_DG9BBBBB00310.36BB00
0755nyu-m4_A_DG8_DG9BBBBB00180.38BB00
0765nyu-m5_A_DG8_DG9BBBBB00330.38BB00
0775nyu-m6_A_DG8_DG9BB1BB16240.39BB16
0785nyu-m7_A_DG8_DG9BBBBB00180.38BB00
0795nyu-m8_A_DG8_DG9BBBBB01440.33BB01
0805nyu-m9_A_DG8_DG9BBBBB01420.34BB01
0815nyu-m10_A_DG9_DG10BBBBB00600.21BB00
0825nyu-m1_A_DG9_DG10BBBBB00370.23BB00
0835nyu-m2_A_DG9_DG10BBBBB00320.24BB00
0845nyu-m3_A_DG9_DG10BBBBB00530.22BB00
0855nyu-m4_A_DG9_DG10BBBBB00410.24BB00
0865nyu-m5_A_DG9_DG10BBBBB00540.28BB00
0875nyu-m6_A_DG9_DG10BBBBB00310.24BB00
0885nyu-m7_A_DG9_DG10BBBBB00410.24BB00
0895nyu-m8_A_DG9_DG10BBBBB00260.22BB00
0905nyu-m9_A_DG9_DG10BBBBB00210.22BB00
0915nyu-m10_A_DG10_DC11OPNOP21200.33OP21
0925nyu-m1_A_DG10_DC11NANNANT00.44OP21
0935nyu-m2_A_DG10_DC11NANNANT00.46OP21
0945nyu-m3_A_DG10_DC11NANNANT00.51OP21
0955nyu-m4_A_DG10_DC11NANNANT00.43OP21
0965nyu-m5_A_DG10_DC11OPNOP21510.36OP21
0975nyu-m6_A_DG10_DC11NANNANT00.46OP21
0985nyu-m7_A_DG10_DC11NANNANT00.43OP21
0995nyu-m8_A_DG10_DC11NANNANT00.43OP21
1005nyu-m9_A_DG10_DC11NANNANT00.45OP21
1015nyu-m10_A_DC11_DG12OPNOP21820.19OP21
1025nyu-m1_A_DC11_DG12OPNOP21480.34OP21
1035nyu-m2_A_DC11_DG12OPNOP21440.36OP21
1045nyu-m3_A_DC11_DG12NANNANT00.65OP21
1055nyu-m4_A_DC11_DG12OPNOP21520.33OP21
1065nyu-m5_A_DC11_DG12OPNOP21440.30OP21
1075nyu-m6_A_DC11_DG12OPNOP21430.36OP21
1085nyu-m7_A_DC11_DG12OPNOP21510.33OP21
1095nyu-m8_A_DC11_DG12OPNOP21410.38OP21
1105nyu-m9_A_DC11_DG12OPNOP21380.40OP21
1115nyu-m10_A_DG12_DG13NANNANT00.39BB08
1125nyu-m1_A_DG12_DG13BBBBB00460.32BB00
1135nyu-m2_A_DG12_DG13BBBBB00460.32BB00
1145nyu-m3_A_DG12_DG13BBBBB00310.35BB00
1155nyu-m4_A_DG12_DG13BBBBB00450.33BB00
1165nyu-m5_A_DG12_DG13BB2BB07320.57BB07
1175nyu-m6_A_DG12_DG13BBBBB00460.32BB00
1185nyu-m7_A_DG12_DG13BBBBB00460.33BB00
1195nyu-m8_A_DG12_DG13BBBBB00230.25BB00
1205nyu-m9_A_DG12_DG13BBBBB00240.26BB00
1215nyu-m10_A_DG13_DG14BBBBB00540.22BB00
1225nyu-m1_A_DG13_DG14B12BB04590.30BB04
1235nyu-m2_A_DG13_DG14B12BB04580.29BB04
1245nyu-m3_A_DG13_DG14BBBBB01650.22BB01
1255nyu-m4_A_DG13_DG14B12BB04590.30BB04
1265nyu-m5_A_DG13_DG14B12BB04580.30BB04
1275nyu-m6_A_DG13_DG14B12BB04580.29BB04
1285nyu-m7_A_DG13_DG14B12BB04590.30BB04
1295nyu-m8_A_DG13_DG14BBBBB01520.26BB01
1305nyu-m9_A_DG13_DG14BBBBB01550.25BB01
1315nyu-m10_A_DG14_DC15OPNOP21490.42OP21
1325nyu-m1_A_DG14_DC15NANNANT01.00OP21
1335nyu-m2_A_DG14_DC15NANNANT01.80OP17
1345nyu-m3_A_DG14_DC15NANNANT01.81OP06
1355nyu-m4_A_DG14_DC15NANNANT01.00OP21
1365nyu-m5_A_DG14_DC15NANNANT01.00OP21
1375nyu-m6_A_DG14_DC15NANNANT01.80OP17
1385nyu-m7_A_DG14_DC15NANNANT01.00OP21
1395nyu-m8_A_DG14_DC15OPNOP21550.38OP21
1405nyu-m9_A_DG14_DC15OPNOP21560.38OP21
1415nyu-m10_A_DC15_DA16NANNANT01.41OP21
1425nyu-m1_A_DC15_DA16NANNANT01.81OP21
1435nyu-m2_A_DC15_DA16NANNANT01.96OP21
1445nyu-m3_A_DC15_DA16NANNANT01.93OP21
1455nyu-m4_A_DC15_DA16NANNANT01.81OP21
1465nyu-m5_A_DC15_DA16NANNANT01.81OP21
1475nyu-m6_A_DC15_DA16NANNANT01.96OP21
1485nyu-m7_A_DC15_DA16NANNANT01.81OP21
1495nyu-m8_A_DC15_DA16NANNANT01.42OP21
1505nyu-m9_A_DC15_DA16NANNANT01.42OP21
1515nyu-m10_A_DA16_DG17NANNANT01.67BB07
1525nyu-m1_A_DA16_DG17NANNANT01.55BB15
1535nyu-m2_A_DA16_DG17NANNANT01.93IC06
1545nyu-m3_A_DA16_DG17NANNANT01.50BB15
1555nyu-m4_A_DA16_DG17NANNANT01.54BB15
1565nyu-m5_A_DA16_DG17NANNANT01.58BB15
1575nyu-m6_A_DA16_DG17NANNANT01.93IC06
1585nyu-m7_A_DA16_DG17NANNANT01.54BB15
1595nyu-m8_A_DA16_DG17NANNANT01.66BB07
1605nyu-m9_A_DA16_DG17NANNANT01.66BB07
1615nyu-m10_A_DG17_DG18NANNANT00.50BB03
1625nyu-m1_A_DG17_DG18BBBBB01660.25BB01
1635nyu-m2_A_DG17_DG18BBBBB01690.25BB01
1645nyu-m3_A_DG17_DG18miBBB12570.47BB12
1655nyu-m4_A_DG17_DG18BBBBB01680.24BB01
1665nyu-m5_A_DG17_DG18BBBBB01760.22BB01
1675nyu-m6_A_DG17_DG18BBBBB01690.25BB01
1685nyu-m7_A_DG17_DG18BBBBB01680.24BB01
1695nyu-m8_A_DG17_DG18NANNANT00.53BB03
1705nyu-m9_A_DG17_DG18NANNANT00.53BB03
1715nyu-m10_A_DG18_DG19BBBBB00470.28BB00
1725nyu-m1_A_DG18_DG19BBBBB01760.20BB01
1735nyu-m2_A_DG18_DG19BBBBB01740.22BB01
1745nyu-m3_A_DG18_DG19BB1BB16470.50BB16
1755nyu-m4_A_DG18_DG19BBBBB01740.21BB01
1765nyu-m5_A_DG18_DG19BBBBB01740.22BB01
1775nyu-m6_A_DG18_DG19BBBBB01750.21BB01
1785nyu-m7_A_DG18_DG19BBBBB01740.21BB01
1795nyu-m8_A_DG18_DG19BBBBB01560.27BB01
1805nyu-m9_A_DG18_DG19BBBBB00510.25BB00
1815nyu-m10_A_DG19_DT20NANNANT01.19BB16
1825nyu-m1_A_DG19_DT20NANNANT01.22BB16
1835nyu-m2_A_DG19_DT20NANNANT01.22BB16
1845nyu-m3_A_DG19_DT20NANNANT01.22BB16
1855nyu-m4_A_DG19_DT20NANNANT01.23BB16
1865nyu-m5_A_DG19_DT20NANNANT01.22BB16
1875nyu-m6_A_DG19_DT20NANNANT01.22BB16
1885nyu-m7_A_DG19_DT20NANNANT01.23BB16
1895nyu-m8_A_DG19_DT20NANNANT01.20BB16
1905nyu-m9_A_DG19_DT20NANNANT01.20BB16

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).

Show



Color by conformation group (pyramids)

group
visible

Color by NtC (balls)

A

A-B

B-A

B

IC

OPN

Z

N