DNATCO v3.2: results

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.

Click a row in table or a step in JSmol for analysis of results. Click column headers to sort data.

step number	Step name	CANA	NtC	confal	rmsd
01	1t39_C_DG1_DC2	BBB	BB00	38	0.35	BB00
02	1t39_C_DC2_DC3	BBB	BB00	14	0.26	BB00
03	1t39_C_DC3_DA4	B12	BB04	44	0.23	BB04
04	1t39_C_DA4_DT5	BBw	BB02	53	0.25	BB02
05	1t39_C_DT5_DG6	BBB	BB00	59	0.41	BB00
06	1t39_C_DG6_E1X7	NAN	NANT	0	0.54	OP14
07	1t39_C_E1X7_DC8	NAN	NANT	0	1.03	OP13
08	1t39_C_DC8_DT9	BBw	BB02	79	0.18	BB02
09	1t39_C_DT9_DA10	B12	BB04	69	0.44	BB04
10	1t39_C_DA10_DG11	BBB	BB00	63	0.27	BB00
11	1t39_C_DG11_DT12	BBB	BB00	70	0.18	BB00
12	1t39_C_DT12_DA13	BBB	BB00	22	0.40	BB00
13	1t39_D_DT14_DA15	BBB	BB00	32	0.48	BB00
14	1t39_D_DA15_DC16	BBB	BB00	46	0.41	BB00
15	1t39_D_DC16_DT17	BBB	BB00	12	0.45	BB00
16	1t39_D_DT17_DA18	miB	BB10	45	0.48	BB10
17	1t39_D_DA18_DG19	BBw	BB11	48	0.35	BB11
18	1t39_D_DG19_DC20	NAN	NANT	0	0.68	BB02
19	1t39_D_DC20_DC21	NAN	NANT	0	0.46	BB02
20	1t39_D_DC21_DA22	B12	BB04	18	0.51	BB04
21	1t39_D_DA22_DT23	miB	BB13	33	0.40	BB13
22	1t39_D_DT23_DG24	BBB	BB00	44	0.44	BB00
23	1t39_D_DG24_DG25	BBw	BB02	64	0.32	BB02
24	1t39_D_DG25_DC26	BBB	BB00	12	0.26	BB00
25	1t39_E_DG1_DC2	BBB	BB00	48	0.45	BB00
26	1t39_E_DC2_DC3	BBw	BB02	39	0.28	BB02
27	1t39_E_DC3_DA4	BBB	BB00	50	0.36	BB00
28	1t39_E_DA4_DT5	BBw	BB02	76	0.26	BB02
29	1t39_E_DT5_DG6	B12	BB04	55	0.43	BB04
30	1t39_E_DG6_E1X7	NAN	NANT	0	0.50	OP14
31	1t39_E_E1X7_DC8	NAN	NANT	0	0.99	OP13
32	1t39_E_DC8_DT9	BBw	BB02	72	0.25	BB02
33	1t39_E_DT9_DA10	BBB	BB00	44	0.53	BB00
34	1t39_E_DA10_DG11	BBw	BB02	36	0.31	BB02
35	1t39_E_DG11_DT12	BBB	BB00	41	0.37	BB00
36	1t39_E_DT12_DA13	BBB	BB00	17	0.39	BB00
37	1t39_F_DT14_DA15	BBB	BB00	44	0.39	BB00
38	1t39_F_DA15_DC16	B12	BB04	50	0.24	BB04
39	1t39_F_DC16_DT17	NAN	NANT	0	0.44	BB02
40	1t39_F_DT17_DA18	BBB	BB00	53	0.45	BB00
41	1t39_F_DA18_DG19	BBw	BB11	48	0.39	BB11
42	1t39_F_DG19_DC20	NAN	NANT	0	0.65	BB02
43	1t39_F_DC20_DC21	NAN	NANT	0	0.38	BB02
44	1t39_F_DC21_DA22	BB2	BB07	51	0.41	BB07
45	1t39_F_DA22_DT23	miB	BB13	18	0.40	BB13
46	1t39_F_DT23_DG24	BBB	BB00	21	0.57	BB00
47	1t39_F_DG24_DG25	BBB	BB00	64	0.30	BB00
48	1t39_F_DG25_DC26	BBB	BB00	18	0.44	BB00

Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.

step:
Table of conformers

δ1

ε1

ζ1

α2

β2

γ2

δ2

χ1

χ2

μ

NN

CC

step_torsions

ntC_average

Δ torsions

torsion scores

comments step 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

Show

Color by conformation group (pyramids)

Color by conformation group (pyramids)

group
visible

Color by NtC (balls)

Color by NtC (balls)

A

A-B

B-A

IC

OPN

Z

N

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