Click the Table/Summary/Similar tabs for more details.
Center view on step or molecule.
Show reference model altloc

Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.
HUMAN DNA TOPOISOMERASE I (70 KDA) IN COMPLEX WITH THE POISON TOPOTECAN AND COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX

Results of the assignment of 40 detected steps in 1 model(s), can be also downloaded as csv file. Average confal 0, percentile 0.

Your browser does not support the HTML5 canvas tag.
Click a row in table or a step in JSmol for analysis of results. Click column headers to sort data.
step numberStep nameCANANtCconfalrmsd
011k4t_B_DA1_DA2BB1BB16300.40BB16
021k4t_B_DA2_DA3BB2BB08880.33BB08
031k4t_B_DA3_DA4BBBBB00510.34BB00
041k4t_B_DA4_DA5BB1BB02890.12BB02
051k4t_B_DA5_DG6BBBBB00750.24BB00
061k4t_B_DG6_DA7BBBBB00950.10BB00
071k4t_B_DA7_DC8miBBB12910.18BB12
081k4t_B_DC8_DT9BB1BB03240.46BB03
091k4t_C_TGP11_DG12BB1BB16640.37BB16
101k4t_C_DG12_DA13BB2BB07830.16BB07
111k4t_C_DA13_DA14BBBBB00900.20BB00
121k4t_C_DA14_DA15BB1BB02780.24BB02
131k4t_C_DA15_DA16BBBBB00630.39BB00
141k4t_C_DA16_DA17BBBBB00870.23BB00
151k4t_C_DA17_DT18BB1BB02740.23BB02
161k4t_C_DT18_DT19BBBBB00830.28BB00
171k4t_C_DT19_DT20BBBBB00890.14BB00
181k4t_C_DT20_DT21BBBBB00460.32BB00
191k4t_C_DT21_DT22BBBBB00660.29BB00
201k4t_D_DA101_DA102BBBBB00860.28BB00
211k4t_D_DA102_DA103B12BB04830.23BB04
221k4t_D_DA103_DA104BBBBB00920.17BB00
231k4t_D_DA104_DA105BBBBB00860.18BB00
241k4t_D_DA105_DT106BB1BB02790.26BB02
251k4t_D_DT106_DT107BBBBB00660.23BB00
261k4t_D_DT107_DT108BBBBB00850.31BB00
271k4t_D_DT108_DT109BB1BB11870.26BB11
281k4t_D_DT109_DT110BBBBB00710.25BB00
291k4t_D_DT110_DC111NANNANT00.32BB02
301k4t_D_DC111_DC112BB1BB03480.36BB03
311k4t_D_DC112_DA113NANNANT00.40IC03
321k4t_D_DA113_DA114BBBBB00920.14BB00
331k4t_D_DA114_DG115B12BB05930.19BB05
341k4t_D_DG115_DT116BB1BB16590.56BB16
351k4t_D_DT116_DC117BBBBB00900.22BB00
361k4t_D_DC117_DT118BBBBB00820.23BB00
371k4t_D_DT118_DT119BBBBB00930.19BB00
381k4t_D_DT119_DT120BB1BB02560.33BB02
391k4t_D_DT120_DT121BB1BB03870.21BB03
401k4t_D_DT121_DT122BBBBB00570.37BB00

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