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

Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.

©Jiří Černý & Bohdan Schneider

HUMAN O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALENTLY CROSSLINKED TO DNA

Results of the assignment of 48 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

Your browser does not support the HTML5 canvas tag.
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
011t39_C_DG1_DC2BBBBB00380.35BB00
021t39_C_DC2_DC3BBBBB00140.26BB00
031t39_C_DC3_DA4B12BB04440.23BB04
041t39_C_DA4_DT5BBwBB02530.25BB02
051t39_C_DT5_DG6BBBBB00590.41BB00
061t39_C_DG6_E1X7NANNANT00.54OP14
071t39_C_E1X7_DC8NANNANT01.03OP13
081t39_C_DC8_DT9BBwBB02790.18BB02
091t39_C_DT9_DA10B12BB04690.44BB04
101t39_C_DA10_DG11BBBBB00630.27BB00
111t39_C_DG11_DT12BBBBB00700.18BB00
121t39_C_DT12_DA13BBBBB00220.40BB00
131t39_D_DT14_DA15BBBBB00320.48BB00
141t39_D_DA15_DC16BBBBB00460.41BB00
151t39_D_DC16_DT17BBBBB00120.45BB00
161t39_D_DT17_DA18miBBB10450.48BB10
171t39_D_DA18_DG19BBwBB11480.35BB11
181t39_D_DG19_DC20NANNANT00.68BB02
191t39_D_DC20_DC21NANNANT00.46BB02
201t39_D_DC21_DA22B12BB04180.51BB04
211t39_D_DA22_DT23miBBB13330.40BB13
221t39_D_DT23_DG24BBBBB00440.44BB00
231t39_D_DG24_DG25BBwBB02640.32BB02
241t39_D_DG25_DC26BBBBB00120.26BB00
251t39_E_DG1_DC2BBBBB00480.45BB00
261t39_E_DC2_DC3BBwBB02390.28BB02
271t39_E_DC3_DA4BBBBB00500.36BB00
281t39_E_DA4_DT5BBwBB02760.26BB02
291t39_E_DT5_DG6B12BB04550.43BB04
301t39_E_DG6_E1X7NANNANT00.50OP14
311t39_E_E1X7_DC8NANNANT00.99OP13
321t39_E_DC8_DT9BBwBB02720.25BB02
331t39_E_DT9_DA10BBBBB00440.53BB00
341t39_E_DA10_DG11BBwBB02360.31BB02
351t39_E_DG11_DT12BBBBB00410.37BB00
361t39_E_DT12_DA13BBBBB00170.39BB00
371t39_F_DT14_DA15BBBBB00440.39BB00
381t39_F_DA15_DC16B12BB04500.24BB04
391t39_F_DC16_DT17NANNANT00.44BB02
401t39_F_DT17_DA18BBBBB00530.45BB00
411t39_F_DA18_DG19BBwBB11480.39BB11
421t39_F_DG19_DC20NANNANT00.65BB02
431t39_F_DC20_DC21NANNANT00.38BB02
441t39_F_DC21_DA22BB2BB07510.41BB07
451t39_F_DA22_DT23miBBB13180.40BB13
461t39_F_DT23_DG24BBBBB00210.57BB00
471t39_F_DG24_DG25BBBBB00640.30BB00
481t39_F_DG25_DC26BBBBB00180.44BB00

Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.
Definition of torsion angles
step:
Table of conformers

δ1ε1ζ1α2β2γ2δ2χ1χ2μNNCC
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

Download

Results as csv or json file.
Restraints file for Phenix (steps with RMSD <= 0.5Å)
Restraints file for REFMAC (steps with RMSD <= 0.5Å)
Commands file for MMB (steps with RMSD <= 0.5Å)
Best NtC fitted to input structure.

Definitions

Average parameters (csv), esd values (csv), and Cartesian coordinates of 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).

Browse conformers

Return up to random steps in PDB structures ( include large structures )

Show



Color by conformation group (pyramids)

group
visible

Color by NtC (balls)

A

A-B

B-A

B

IC

OPN

Z

N