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Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.
POTASSIUM FORM OF OXY-1.5 QUADRUPLEX DNA

Results of the assignment of 176 detected steps in 8 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
0011k4x-m1_A_DG1_DG2NANNANT00.55BBS1
0021k4x-m2_A_DG1_DG2NANNANT00.65AB02
0031k4x-m3_A_DG1_DG2NANNANT00.65BBS1
0041k4x-m4_A_DG1_DG2NANNANT00.70BBS1
0051k4x-m5_A_DG1_DG2SYNBBS1390.51BBS1
0061k4x-m6_A_DG1_DG2NANNANT00.66BBS1
0071k4x-m7_A_DG1_DG2NANNANT00.66AB02
0081k4x-m8_A_DG1_DG2NANNANT00.66BBS1
0091k4x-m1_A_DG2_DG3NANNANT00.31BB2S
0101k4x-m2_A_DG2_DG3NANNANT00.70BB2S
0111k4x-m3_A_DG2_DG3SYNBB2S170.34BB2S
0121k4x-m4_A_DG2_DG3NANNANT00.46BB1S
0131k4x-m5_A_DG2_DG3SYNBB2S110.31BB2S
0141k4x-m6_A_DG2_DG3NANNANT00.50BB1S
0151k4x-m7_A_DG2_DG3NANNANT00.52BB2S
0161k4x-m8_A_DG2_DG3SYNBB2S330.22BB2S
0171k4x-m1_A_DG3_DG4NANNANT00.59BBS1
0181k4x-m2_A_DG3_DG4NANNANT00.54BBS1
0191k4x-m3_A_DG3_DG4NANNANT00.51BBS1
0201k4x-m4_A_DG3_DG4NANNANT00.65BBS1
0211k4x-m5_A_DG3_DG4NANNANT00.43BBS1
0221k4x-m6_A_DG3_DG4NANNANT00.65BBS1
0231k4x-m7_A_DG3_DG4NANNANT00.43BBS1
0241k4x-m8_A_DG3_DG4NANNANT00.79BB07
0251k4x-m1_A_DG4_DT5NANNANT01.07BA08
0261k4x-m2_A_DG4_DT5NANNANT00.78BA05
0271k4x-m3_A_DG4_DT5NANNANT01.06BA08
0281k4x-m4_A_DG4_DT5NANNANT01.04BA08
0291k4x-m5_A_DG4_DT5NANNANT01.02AB02
0301k4x-m6_A_DG4_DT5NANNANT01.07BA08
0311k4x-m7_A_DG4_DT5NANNANT00.97BA08
0321k4x-m8_A_DG4_DT5NANNANT00.76BA01
0331k4x-m1_A_DT5_DT6NANNANT00.65BA10
0341k4x-m2_A_DT5_DT6NANNANT00.44BB11
0351k4x-m3_A_DT5_DT6NANNANT00.68BA10
0361k4x-m4_A_DT5_DT6NANNANT00.68BA10
0371k4x-m5_A_DT5_DT6NANNANT00.58BA10
0381k4x-m6_A_DT5_DT6NANNANT00.71BA10
0391k4x-m7_A_DT5_DT6NANNANT00.56AA01
0401k4x-m8_A_DT5_DT6NANNANT00.49BA10
0411k4x-m1_A_DT6_DT7NANNANT01.18AA13
0421k4x-m2_A_DT6_DT7NANNANT00.57BB20
0431k4x-m3_A_DT6_DT7NANNANT01.39AA12
0441k4x-m4_A_DT6_DT7NANNANT01.43AA12
0451k4x-m5_A_DT6_DT7NANNANT00.95BB20
0461k4x-m6_A_DT6_DT7NANNANT01.43AA12
0471k4x-m7_A_DT6_DT7NANNANT00.71BB20
0481k4x-m8_A_DT6_DT7NANNANT01.23AA13
0491k4x-m1_A_DT7_DT8NANNANT00.76AB04
0501k4x-m2_A_DT7_DT8NANNANT00.67AB04
0511k4x-m3_A_DT7_DT8NANNANT00.77AB04
0521k4x-m4_A_DT7_DT8NANNANT00.97AB04
0531k4x-m5_A_DT7_DT8NANNANT00.70AB04
0541k4x-m6_A_DT7_DT8NANNANT00.78AB04
0551k4x-m7_A_DT7_DT8NANNANT01.22AB02
0561k4x-m8_A_DT7_DT8NANNANT00.75AB04
0571k4x-m1_A_DT8_DG9NANNANT01.47OP08
0581k4x-m2_A_DT8_DG9NANNANT01.69OP10
0591k4x-m3_A_DT8_DG9NANNANT00.53OP1S
0601k4x-m4_A_DT8_DG9NANNANT00.80ZZ2S
0611k4x-m5_A_DT8_DG9NANNANT00.53OP1S
0621k4x-m6_A_DT8_DG9NANNANT00.71ZZ1S
0631k4x-m7_A_DT8_DG9NANNANT00.68ZZ2S
0641k4x-m8_A_DT8_DG9NANNANT00.76ZZ2S
0651k4x-m1_A_DG9_DG10NANNANT00.32BBS1
0661k4x-m2_A_DG9_DG10NANNANT00.55BBS1
0671k4x-m3_A_DG9_DG10NANNANT00.45BBS1
0681k4x-m4_A_DG9_DG10NANNANT00.60AB02
0691k4x-m5_A_DG9_DG10NANNANT00.45BBS1
0701k4x-m6_A_DG9_DG10NANNANT00.55AB02
0711k4x-m7_A_DG9_DG10NANNANT00.55AB02
0721k4x-m8_A_DG9_DG10SYNBBS1100.33BBS1
0731k4x-m1_A_DG10_DG11NANNANT02.04ZZ2S
0741k4x-m2_A_DG10_DG11SYNBB2S390.22BB2S
0751k4x-m3_A_DG10_DG11SYNBB2S440.20BB2S
0761k4x-m4_A_DG10_DG11NANNANT00.39BB2S
0771k4x-m5_A_DG10_DG11NANNANT02.10ZZ2S
0781k4x-m6_A_DG10_DG11NANNANT00.38BB2S
0791k4x-m7_A_DG10_DG11SYNBB2S280.22BB2S
0801k4x-m8_A_DG10_DG11NANNANT02.05ZZ2S
0811k4x-m1_A_DG11_DG12NANNANT01.41ZZS2
0821k4x-m2_A_DG11_DG12SYNBBS1600.42BBS1
0831k4x-m3_A_DG11_DG12SYNBBS1220.58BBS1
0841k4x-m4_A_DG11_DG12NANNANT00.56BBS1
0851k4x-m5_A_DG11_DG12SYNBBS1270.51BBS1
0861k4x-m6_A_DG11_DG12NANNANT01.37ZZS2
0871k4x-m7_A_DG11_DG12NANNANT01.40ZZS2
0881k4x-m8_A_DG11_DG12NANNANT00.60BBS1
0891k4x-m1_B_DG1_DG2NANNANT00.55BBS1
0901k4x-m2_B_DG1_DG2NANNANT00.65AB02
0911k4x-m3_B_DG1_DG2NANNANT00.65BBS1
0921k4x-m4_B_DG1_DG2NANNANT00.70BBS1
0931k4x-m5_B_DG1_DG2SYNBBS1390.51BBS1
0941k4x-m6_B_DG1_DG2NANNANT00.66BBS1
0951k4x-m7_B_DG1_DG2NANNANT00.66AB02
0961k4x-m8_B_DG1_DG2NANNANT00.66BBS1
0971k4x-m1_B_DG2_DG3NANNANT00.31BB2S
0981k4x-m2_B_DG2_DG3NANNANT00.70BB2S
0991k4x-m3_B_DG2_DG3SYNBB2S170.34BB2S
1001k4x-m4_B_DG2_DG3NANNANT00.46BB1S
1011k4x-m5_B_DG2_DG3SYNBB2S110.31BB2S
1021k4x-m6_B_DG2_DG3NANNANT00.50BB1S
1031k4x-m7_B_DG2_DG3NANNANT00.52BB2S
1041k4x-m8_B_DG2_DG3SYNBB2S320.22BB2S
1051k4x-m1_B_DG3_DG4NANNANT00.59BBS1
1061k4x-m2_B_DG3_DG4NANNANT00.54BBS1
1071k4x-m3_B_DG3_DG4NANNANT00.51BBS1
1081k4x-m4_B_DG3_DG4NANNANT00.65BBS1
1091k4x-m5_B_DG3_DG4NANNANT00.43BBS1
1101k4x-m6_B_DG3_DG4NANNANT00.65BBS1
1111k4x-m7_B_DG3_DG4NANNANT00.43BBS1
1121k4x-m8_B_DG3_DG4NANNANT00.79BB07
1131k4x-m1_B_DG4_DT5NANNANT01.07BA08
1141k4x-m2_B_DG4_DT5NANNANT00.78BA05
1151k4x-m3_B_DG4_DT5NANNANT01.06BA08
1161k4x-m4_B_DG4_DT5NANNANT01.04BA08
1171k4x-m5_B_DG4_DT5NANNANT01.02AB02
1181k4x-m6_B_DG4_DT5NANNANT01.07BA08
1191k4x-m7_B_DG4_DT5NANNANT00.97BA08
1201k4x-m8_B_DG4_DT5NANNANT00.76BA01
1211k4x-m1_B_DT5_DT6NANNANT00.65BA10
1221k4x-m2_B_DT5_DT6NANNANT00.44BB11
1231k4x-m3_B_DT5_DT6NANNANT00.68BA10
1241k4x-m4_B_DT5_DT6NANNANT00.68BA10
1251k4x-m5_B_DT5_DT6NANNANT00.58BA10
1261k4x-m6_B_DT5_DT6NANNANT00.71BA10
1271k4x-m7_B_DT5_DT6NANNANT00.56AA01
1281k4x-m8_B_DT5_DT6NANNANT00.49BA10
1291k4x-m1_B_DT6_DT7NANNANT01.18AA13
1301k4x-m2_B_DT6_DT7NANNANT00.57BB20
1311k4x-m3_B_DT6_DT7NANNANT01.39AA12
1321k4x-m4_B_DT6_DT7NANNANT01.43AA12
1331k4x-m5_B_DT6_DT7NANNANT00.95BB20
1341k4x-m6_B_DT6_DT7NANNANT01.43AA12
1351k4x-m7_B_DT6_DT7NANNANT00.71BB20
1361k4x-m8_B_DT6_DT7NANNANT01.23AA13
1371k4x-m1_B_DT7_DT8NANNANT00.76AB04
1381k4x-m2_B_DT7_DT8NANNANT00.67AB04
1391k4x-m3_B_DT7_DT8NANNANT00.77AB04
1401k4x-m4_B_DT7_DT8NANNANT00.97AB04
1411k4x-m5_B_DT7_DT8NANNANT00.70AB04
1421k4x-m6_B_DT7_DT8NANNANT00.78AB04
1431k4x-m7_B_DT7_DT8NANNANT01.22AB02
1441k4x-m8_B_DT7_DT8NANNANT00.75AB04
1451k4x-m1_B_DT8_DG9NANNANT01.47OP08
1461k4x-m2_B_DT8_DG9NANNANT01.69OP10
1471k4x-m3_B_DT8_DG9NANNANT00.53OP1S
1481k4x-m4_B_DT8_DG9NANNANT00.80ZZ2S
1491k4x-m5_B_DT8_DG9NANNANT00.53OP1S
1501k4x-m6_B_DT8_DG9NANNANT00.71ZZ1S
1511k4x-m7_B_DT8_DG9NANNANT00.68ZZ2S
1521k4x-m8_B_DT8_DG9NANNANT00.76ZZ2S
1531k4x-m1_B_DG9_DG10NANNANT00.32BBS1
1541k4x-m2_B_DG9_DG10NANNANT00.55BBS1
1551k4x-m3_B_DG9_DG10NANNANT00.45BBS1
1561k4x-m4_B_DG9_DG10NANNANT00.60AB02
1571k4x-m5_B_DG9_DG10NANNANT00.45BBS1
1581k4x-m6_B_DG9_DG10NANNANT00.55AB02
1591k4x-m7_B_DG9_DG10NANNANT00.55AB02
1601k4x-m8_B_DG9_DG10NANNANT00.33BBS1
1611k4x-m1_B_DG10_DG11NANNANT02.04ZZ2S
1621k4x-m2_B_DG10_DG11SYNBB2S410.22BB2S
1631k4x-m3_B_DG10_DG11SYNBB2S450.20BB2S
1641k4x-m4_B_DG10_DG11NANNANT00.39BB2S
1651k4x-m5_B_DG10_DG11NANNANT02.10ZZ2S
1661k4x-m6_B_DG10_DG11NANNANT00.38BB2S
1671k4x-m7_B_DG10_DG11SYNBB2S300.22BB2S
1681k4x-m8_B_DG10_DG11NANNANT02.05ZZ2S
1691k4x-m1_B_DG11_DG12NANNANT01.41ZZS2
1701k4x-m2_B_DG11_DG12SYNBBS1590.42BBS1
1711k4x-m3_B_DG11_DG12SYNBBS1210.58BBS1
1721k4x-m4_B_DG11_DG12NANNANT00.56BBS1
1731k4x-m5_B_DG11_DG12SYNBBS1280.51BBS1
1741k4x-m6_B_DG11_DG12NANNANT01.37ZZS2
1751k4x-m7_B_DG11_DG12NANNANT01.40ZZS2
1761k4x-m8_B_DG11_DG12NANNANT00.60BBS1

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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