DNATCO v4.1: results

NMR STRUCTURE OF THE 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE (PHIP) C8-DEOXYGUANOSINE ADDUCT IN DUPLEX DNA

Results of the assignment of 120 detected steps in 6 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 viewer for analysis of results. Click column headers to sort data.

Define restraints for steps within Å cartesian RMSD, global sigma scaling factor or use per step sigma scaling.

step number	Step name	CANA	NtC	confal	rmsd	NtCs
001	1hz0-m1_A_DC1_DC2	BBB	BB00	74	0.20	BB00
002	1hz0-m2_A_DC1_DC2	BBB	BB00	91	0.19	BB00
003	1hz0-m3_A_DC1_DC2	BBB	BB00	91	0.19	BB00
004	1hz0-m4_A_DC1_DC2	BBB	BB00	66	0.16	BB00
005	1hz0-m5_A_DC1_DC2	BBB	BB00	74	0.24	BB00
006	1hz0-m6_A_DC1_DC2	BBB	BB00	80	0.25	BB00
007	1hz0-m1_A_DC2_DA3	BBB	BB00	77	0.13	BB00
008	1hz0-m2_A_DC2_DA3	BBB	BB00	88	0.17	BB00
009	1hz0-m3_A_DC2_DA3	BBB	BB00	88	0.17	BB00
010	1hz0-m4_A_DC2_DA3	BBB	BB00	90	0.18	BB00
011	1hz0-m5_A_DC2_DA3	BBB	BB00	82	0.16	BB00
012	1hz0-m6_A_DC2_DA3	BBB	BB00	88	0.16	BB00
013	1hz0-m1_A_DA3_DT4	BBB	BB00	88	0.19	BB00
014	1hz0-m2_A_DA3_DT4	BBB	BB00	85	0.23	BB00
015	1hz0-m3_A_DA3_DT4	BBB	BB00	85	0.23	BB00
016	1hz0-m4_A_DA3_DT4	BBB	BB00	77	0.25	BB00
017	1hz0-m5_A_DA3_DT4	BBB	BB00	79	0.23	BB00
018	1hz0-m6_A_DA3_DT4	BBB	BB01	73	0.19	BB01
019	1hz0-m1_A_DT4_DC5	B-A	BA01	72	0.24	BA01
020	1hz0-m2_A_DT4_DC5	B-A	BA01	55	0.27	BA01
021	1hz0-m3_A_DT4_DC5	B-A	BA01	55	0.27	BA01
022	1hz0-m4_A_DT4_DC5	B-A	BA05	76	0.10	BA05
023	1hz0-m5_A_DT4_DC5	B-A	BA05	84	0.14	BA05
024	1hz0-m6_A_DT4_DC5	BBB	BB01	75	0.16	BB01
025	1hz0-m1_A_DC5_DG6	SYN	AB2S	21	0.31	AB2S
026	1hz0-m2_A_DC5_DG6	SYN	AB2S	19	0.38	AB2S
027	1hz0-m3_A_DC5_DG6	SYN	AB2S	19	0.38	AB2S
028	1hz0-m4_A_DC5_DG6	NAN	NANT	0	0.37	AB2S
029	1hz0-m5_A_DC5_DG6	NAN	NANT	0	0.38	AB2S
030	1hz0-m6_A_DC5_DG6	NAN	NANT	0	0.42	AB2S
031	1hz0-m1_A_DG6_DC7	NAN	NANT	0	0.81	BBS1
032	1hz0-m2_A_DG6_DC7	NAN	NANT	0	0.91	BBS1
033	1hz0-m3_A_DG6_DC7	NAN	NANT	0	0.91	BBS1
034	1hz0-m4_A_DG6_DC7	NAN	NANT	0	0.80	BBS1
035	1hz0-m5_A_DG6_DC7	NAN	NANT	0	0.70	BBS1
036	1hz0-m6_A_DG6_DC7	NAN	NANT	0	0.69	BBS1
037	1hz0-m1_A_DC7_DT8	B-A	BA05	35	0.31	BA05
038	1hz0-m2_A_DC7_DT8	B-A	BA05	55	0.31	BA05
039	1hz0-m3_A_DC7_DT8	B-A	BA05	55	0.31	BA05
040	1hz0-m4_A_DC7_DT8	BBB	BB00	78	0.21	BB00
041	1hz0-m5_A_DC7_DT8	B-A	BA05	72	0.11	BA05
042	1hz0-m6_A_DC7_DT8	B-A	BA05	46	0.16	BA05
043	1hz0-m1_A_DT8_DA9	A-B	AB01	73	0.22	AB01
044	1hz0-m2_A_DT8_DA9	A-B	AB01	37	0.23	AB01
045	1hz0-m3_A_DT8_DA9	A-B	AB01	37	0.23	AB01
046	1hz0-m4_A_DT8_DA9	BBB	BB00	46	0.34	BB00
047	1hz0-m5_A_DT8_DA9	A-B	AB01	27	0.21	AB01
048	1hz0-m6_A_DT8_DA9	A-B	AB01	21	0.20	AB01
049	1hz0-m1_A_DA9_DC10	BBB	BB00	86	0.23	BB00
050	1hz0-m2_A_DA9_DC10	BBB	BB00	84	0.26	BB00
051	1hz0-m3_A_DA9_DC10	BBB	BB00	84	0.26	BB00
052	1hz0-m4_A_DA9_DC10	BBB	BB00	76	0.27	BB00
053	1hz0-m5_A_DA9_DC10	BBB	BB00	82	0.17	BB00
054	1hz0-m6_A_DA9_DC10	BBB	BB00	77	0.24	BB00
055	1hz0-m1_A_DC10_DC11	BBB	BB00	85	0.17	BB00
056	1hz0-m2_A_DC10_DC11	BBB	BB00	81	0.15	BB00
057	1hz0-m3_A_DC10_DC11	BBB	BB00	81	0.15	BB00
058	1hz0-m4_A_DC10_DC11	BBB	BB00	83	0.17	BB00
059	1hz0-m5_A_DC10_DC11	BBB	BB00	82	0.22	BB00
060	1hz0-m6_A_DC10_DC11	BBB	BB00	85	0.15	BB00
061	1hz0-m1_B_DG12_DG13	BBB	BB00	87	0.13	BB00
062	1hz0-m2_B_DG12_DG13	BBB	BB00	73	0.14	BB00
063	1hz0-m3_B_DG12_DG13	BBB	BB00	73	0.14	BB00
064	1hz0-m4_B_DG12_DG13	BBB	BB00	68	0.15	BB00
065	1hz0-m5_B_DG12_DG13	BBB	BB00	83	0.19	BB00
066	1hz0-m6_B_DG12_DG13	BBB	BB00	73	0.15	BB00
067	1hz0-m1_B_DG13_DT14	B-A	BA01	33	0.13	BA01
068	1hz0-m2_B_DG13_DT14	B-A	BA01	59	0.21	BA01
069	1hz0-m3_B_DG13_DT14	B-A	BA01	59	0.21	BA01
070	1hz0-m4_B_DG13_DT14	BBB	BB00	91	0.15	BB00
071	1hz0-m5_B_DG13_DT14	BBB	BB00	90	0.17	BB00
072	1hz0-m6_B_DG13_DT14	BBB	BB00	92	0.14	BB00
073	1hz0-m1_B_DT14_DA15	A-B	AB01	20	0.24	AB01
074	1hz0-m2_B_DT14_DA15	A-B	AB01	49	0.18	AB01
075	1hz0-m3_B_DT14_DA15	A-B	AB01	49	0.18	AB01
076	1hz0-m4_B_DT14_DA15	BBB	BB00	45	0.46	BB00
077	1hz0-m5_B_DT14_DA15	BBB	BB00	48	0.42	BB00
078	1hz0-m6_B_DT14_DA15	BBB	BB00	49	0.44	BB00
079	1hz0-m1_B_DA15_DG16	NAN	NANT	0	0.46	BA08
080	1hz0-m2_B_DA15_DG16	NAN	NANT	0	0.60	BA01
081	1hz0-m3_B_DA15_DG16	NAN	NANT	0	0.60	BA01
082	1hz0-m4_B_DA15_DG16	B-A	BA05	72	0.23	BA05
083	1hz0-m5_B_DA15_DG16	B-A	BA05	68	0.24	BA05
084	1hz0-m6_B_DA15_DG16	B-A	BA05	73	0.21	BA05
085	1hz0-m1_B_DG16_DC17	NAN	NANT	0	0.80	AB05
086	1hz0-m2_B_DG16_DC17	NAN	NANT	0	0.77	AB05
087	1hz0-m3_B_DG16_DC17	NAN	NANT	0	0.77	AB05
088	1hz0-m4_B_DG16_DC17	NAN	NANT	0	0.79	BB16
089	1hz0-m5_B_DG16_DC17	NAN	NANT	0	0.70	BB16
090	1hz0-m6_B_DG16_DC17	NAN	NANT	0	0.72	BB16
091	1hz0-m1_B_DC17_DG18	NAN	NANT	0	0.82	BB04
092	1hz0-m2_B_DC17_DG18	NAN	NANT	0	0.75	BB04
093	1hz0-m3_B_DC17_DG18	NAN	NANT	0	0.75	BB04
094	1hz0-m4_B_DC17_DG18	NAN	NANT	0	0.69	BB04
095	1hz0-m5_B_DC17_DG18	NAN	NANT	0	0.88	BB04
096	1hz0-m6_B_DC17_DG18	NAN	NANT	0	0.86	BB04
097	1hz0-m1_B_DG18_DA19	BBB	BB00	49	0.29	BB00
098	1hz0-m2_B_DG18_DA19	BBB	BB00	49	0.27	BB00
099	1hz0-m3_B_DG18_DA19	BBB	BB00	49	0.27	BB00
100	1hz0-m4_B_DG18_DA19	BBB	BB00	77	0.22	BB00
101	1hz0-m5_B_DG18_DA19	BBB	BB00	75	0.28	BB00
102	1hz0-m6_B_DG18_DA19	BBB	BB00	74	0.18	BB00
103	1hz0-m1_B_DA19_DT20	BBB	BB00	94	0.18	BB00
104	1hz0-m2_B_DA19_DT20	B-A	BA01	20	0.17	BA01
105	1hz0-m3_B_DA19_DT20	B-A	BA01	20	0.17	BA01
106	1hz0-m4_B_DA19_DT20	B-A	BA05	77	0.27	BA05
107	1hz0-m5_B_DA19_DT20	B-A	BA05	84	0.19	BA05
108	1hz0-m6_B_DA19_DT20	BBB	BB01	43	0.21	BB01
109	1hz0-m1_B_DT20_DG21	BBB	BB00	93	0.14	BB00
110	1hz0-m2_B_DT20_DG21	BBB	BB01	28	0.23	BB01
111	1hz0-m3_B_DT20_DG21	BBB	BB01	28	0.23	BB01
112	1hz0-m4_B_DT20_DG21	BBB	BB01	30	0.28	BB01
113	1hz0-m5_B_DT20_DG21	BBB	BB01	54	0.24	BB01
114	1hz0-m6_B_DT20_DG21	BBB	BB01	44	0.28	BB01
115	1hz0-m1_B_DG21_DG22	BBB	BB00	93	0.13	BB00
116	1hz0-m2_B_DG21_DG22	BBB	BB00	12	0.27	BB00
117	1hz0-m3_B_DG21_DG22	BBB	BB00	12	0.27	BB00
118	1hz0-m4_B_DG21_DG22	BBB	BB01	16	0.28	BB01
119	1hz0-m5_B_DG21_DG22	BBB	BB00	45	0.26	BB00
120	1hz0-m6_B_DG21_DG22	BBB	BB00	20	0.25	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

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IC

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Z

N

Results of the assignment of 120 detected steps in 6 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

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Restraints

User-based restraints

Definitions

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