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Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.
Dodecamer DNA containing the synthetic base pair P-Z in complex with a pyrrole-imidazole polyamide

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
0016i4n-m10_A_DC1_DG2ICLIC06490.34IC06
0026i4n-m1_A_DC1_DG2BB1BB16330.79BB16
0036i4n-m2_A_DC1_DG2BB1BB16250.69BB16
0046i4n-m3_A_DC1_DG2BBBBB00360.51BB00
0056i4n-m4_A_DC1_DG2BBBBB00680.54BB00
0066i4n-m5_A_DC1_DG2BB1BB16460.57BB16
0076i4n-m6_A_DC1_DG2NANNANT00.81BB00
0086i4n-m7_A_DC1_DG2NANNANT00.97BB16
0096i4n-m8_A_DC1_DG2NANNANT00.94BB16
0106i4n-m9_A_DC1_DG2BB1BB16120.98BB16
0116i4n-m10_A_DG2_DA3BBBBB01320.37BB01
0126i4n-m1_A_DG2_DA3BBBBB00760.20BB00
0136i4n-m2_A_DG2_DA3BB1BB02450.42BB02
0146i4n-m3_A_DG2_DA3BBBBB00300.36BB00
0156i4n-m4_A_DG2_DA3BB2BB07530.35BB07
0166i4n-m5_A_DG2_DA3BBBBB00430.35BB00
0176i4n-m6_A_DG2_DA3BBBBB01320.26BB01
0186i4n-m7_A_DG2_DA3BBBBB01490.36BB01
0196i4n-m8_A_DG2_DA3BBBBB01490.26BB01
0206i4n-m9_A_DG2_DA3BBBBB00750.18BB00
0216i4n-m10_A_DA3_DT4A-BAB02780.46AB02
0226i4n-m1_A_DA3_DT4BBBBB00810.23BB00
0236i4n-m2_A_DA3_DT4NANNANT00.59AB02
0246i4n-m3_A_DA3_DT4BBBBB00830.27BB00
0256i4n-m4_A_DA3_DT4BBBBB00830.31BB00
0266i4n-m5_A_DA3_DT4BBBBB00800.32BB00
0276i4n-m6_A_DA3_DT4BBBBB00660.21BB00
0286i4n-m7_A_DA3_DT4BBBBB00590.25BB00
0296i4n-m8_A_DA3_DT4BBBBB00320.25BB00
0306i4n-m9_A_DA3_DT4BBBBB01720.23BB01
0316i4n-m10_A_DT6_DA7BBBBB00630.21BB00
0326i4n-m1_A_DT6_DA7BBBBB00820.23BB00
0336i4n-m2_A_DT6_DA7BBBBB00840.15BB00
0346i4n-m3_A_DT6_DA7BBBBB00780.23BB00
0356i4n-m4_A_DT6_DA7BBBBB00750.16BB00
0366i4n-m5_A_DT6_DA7BBBBB00780.18BB00
0376i4n-m6_A_DT6_DA7BBBBB00790.19BB00
0386i4n-m7_A_DT6_DA7BBBBB00680.19BB00
0396i4n-m8_A_DT6_DA7BBBBB00810.24BB00
0406i4n-m9_A_DT6_DA7BBBBB01680.23BB01
0416i4n-m10_A_DA9_DT10BBBBB01770.20BB01
0426i4n-m1_A_DA9_DT10BBBBB00670.25BB00
0436i4n-m2_A_DA9_DT10BBBBB00500.32BB00
0446i4n-m3_A_DA9_DT10BBBBB00120.28BB00
0456i4n-m4_A_DA9_DT10BBBBB00770.28BB00
0466i4n-m5_A_DA9_DT10BBBBB01760.18BB01
0476i4n-m6_A_DA9_DT10BBBBB01790.23BB01
0486i4n-m7_A_DA9_DT10BBBBB00700.29BB00
0496i4n-m8_A_DA9_DT10BBBBB00770.24BB00
0506i4n-m9_A_DA9_DT10BBBBB00690.29BB00
0516i4n-m10_A_DT10_DC11BBBBB00400.59BB00
0526i4n-m1_A_DT10_DC11BBBBB00780.42BB00
0536i4n-m2_A_DT10_DC11BB2BB07460.60BB07
0546i4n-m3_A_DT10_DC11BB2BB07600.50BB07
0556i4n-m4_A_DT10_DC11BB2BB07670.43BB07
0566i4n-m5_A_DT10_DC11BBBBB00880.33BB00
0576i4n-m6_A_DT10_DC11BBBBB00500.55BB00
0586i4n-m7_A_DT10_DC11BB2BB07640.42BB07
0596i4n-m8_A_DT10_DC11BBBBB00650.52BB00
0606i4n-m9_A_DT10_DC11BB2BB07710.43BB07
0616i4n-m10_A_DC11_DG12NANNANT00.37IC05
0626i4n-m1_A_DC11_DG12BB2BB07310.37BB07
0636i4n-m2_A_DC11_DG12miBBB12800.25BB12
0646i4n-m3_A_DC11_DG12miBBB13690.34BB13
0656i4n-m4_A_DC11_DG12miBBB13600.48BB13
0666i4n-m5_A_DC11_DG12miBBB12760.24BB12
0676i4n-m6_A_DC11_DG12NANNANT00.42IC05
0686i4n-m7_A_DC11_DG12miBBB12870.29BB12
0696i4n-m8_A_DC11_DG12BB2BB07190.46BB07
0706i4n-m9_A_DC11_DG12BB2BB07630.30BB07
0716i4n-m10_B_DC13_DG14BBBBB01480.31BB01
0726i4n-m1_B_DC13_DG14BBBBB00590.51BB00
0736i4n-m2_B_DC13_DG14BB1BB03450.49BB03
0746i4n-m3_B_DC13_DG14BBBBB00680.37BB00
0756i4n-m4_B_DC13_DG14A-BAB03570.32AB03
0766i4n-m5_B_DC13_DG14BBBBB00590.36BB00
0776i4n-m6_B_DC13_DG14BBBBB00590.49BB00
0786i4n-m7_B_DC13_DG14BB1BB16230.80BB16
0796i4n-m8_B_DC13_DG14BBBBB00630.53BB00
0806i4n-m9_B_DC13_DG14BBBBB00760.42BB00
0816i4n-m10_B_DG14_DA15BB2BB07130.44BB07
0826i4n-m1_B_DG14_DA15BB2BB07550.38BB07
0836i4n-m2_B_DG14_DA15BBBBB00530.28BB00
0846i4n-m3_B_DG14_DA15BBBBB00760.24BB00
0856i4n-m4_B_DG14_DA15BBBBB00850.21BB00
0866i4n-m5_B_DG14_DA15BBBBB00370.34BB00
0876i4n-m6_B_DG14_DA15BB2BB07120.46BB07
0886i4n-m7_B_DG14_DA15BBBBB00880.14BB00
0896i4n-m8_B_DG14_DA15BB2BB07490.35BB07
0906i4n-m9_B_DG14_DA15BB2BB07820.19BB07
0916i4n-m10_B_DA15_DT16BBBBB00870.22BB00
0926i4n-m1_B_DA15_DT16BBBBB01720.26BB01
0936i4n-m2_B_DA15_DT16B-ABA05700.24BA05
0946i4n-m3_B_DA15_DT16B-ABA05790.18BA05
0956i4n-m4_B_DA15_DT16BBBBB00870.22BB00
0966i4n-m5_B_DA15_DT16BBBBB00800.25BB00
0976i4n-m6_B_DA15_DT16BBBBB00790.33BB00
0986i4n-m7_B_DA15_DT16BBBBB00830.29BB00
0996i4n-m8_B_DA15_DT16BBBBB01760.25BB01
1006i4n-m9_B_DA15_DT16BBBBB01810.22BB01
1016i4n-m10_B_DT18_DA19BB1BB16760.25BB16
1026i4n-m1_B_DT18_DA19BB1BB16820.26BB16
1036i4n-m2_B_DT18_DA19BBBBB00550.27BB00
1046i4n-m3_B_DT18_DA19BBBBB00650.40BB00
1056i4n-m4_B_DT18_DA19BB1BB16570.23BB16
1066i4n-m5_B_DT18_DA19BBBBB00540.39BB00
1076i4n-m6_B_DT18_DA19BB1BB16760.26BB16
1086i4n-m7_B_DT18_DA19BBBBB00470.56BB00
1096i4n-m8_B_DT18_DA19BB1BB16730.28BB16
1106i4n-m9_B_DT18_DA19BB1BB16730.29BB16
1116i4n-m10_B_DA21_DT22BBBBB00820.33BB00
1126i4n-m1_B_DA21_DT22BBBBB00740.32BB00
1136i4n-m2_B_DA21_DT22BBBBB00820.35BB00
1146i4n-m3_B_DA21_DT22BBBBB00790.34BB00
1156i4n-m4_B_DA21_DT22BBBBB00820.30BB00
1166i4n-m5_B_DA21_DT22BBBBB00740.27BB00
1176i4n-m6_B_DA21_DT22BBBBB00790.35BB00
1186i4n-m7_B_DA21_DT22BBBBB00780.32BB00
1196i4n-m8_B_DA21_DT22BBBBB00470.35BB00
1206i4n-m9_B_DA21_DT22BBBBB00820.32BB00
1216i4n-m10_B_DT22_DC23NANNANT00.84BB05
1226i4n-m1_B_DT22_DC23NANNANT00.49BB12
1236i4n-m2_B_DT22_DC23NANNANT00.89BB05
1246i4n-m3_B_DT22_DC23NANNANT00.79BB05
1256i4n-m4_B_DT22_DC23NANNANT00.82BB05
1266i4n-m5_B_DT22_DC23NANNANT00.76BB05
1276i4n-m6_B_DT22_DC23miBBB12150.43BB12
1286i4n-m7_B_DT22_DC23NANNANT00.49BB12
1296i4n-m8_B_DT22_DC23miBBB12150.46BB12
1306i4n-m9_B_DT22_DC23NANNANT00.49BB12
1316i4n-m10_B_DC23_DG24NANNANT00.51IC06
1326i4n-m1_B_DC23_DG24NANNANT00.48IC06
1336i4n-m2_B_DC23_DG24NANNANT00.43IC06
1346i4n-m3_B_DC23_DG24NANNANT00.54IC06
1356i4n-m4_B_DC23_DG24NANNANT00.50IC06
1366i4n-m5_B_DC23_DG24NANNANT00.85BB07
1376i4n-m6_B_DC23_DG24NANNANT00.53IC06
1386i4n-m7_B_DC23_DG24NANNANT01.38OP20
1396i4n-m8_B_DC23_DG24NANNANT00.45IC06
1406i4n-m9_B_DC23_DG24ICLIC06550.37IC06

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