DNATCO v4.1: results

MOLECULAR RECOGNITION BY THE VITAMIN B12 RNA APTAMER

Results of the assignment of 136 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 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	1ddy_A_G1_G2	AAw	AA01	35	0.32	AA01
002	1ddy_A_G2_A3	AAA	AA08	82	0.28	AA08
003	1ddy_A_A3_A4	NAN	NANT	0	0.73	AA10
004	1ddy_A_A4_C5	AAw	AA06	17	0.57	AA06
005	1ddy_A_C5_C6	AAA	AA00	64	0.20	AA00
006	1ddy_A_C6_G7	AAA	AA00	21	0.34	AA00
007	1ddy_A_G7_G8	AAA	AA00	67	0.27	AA00
008	1ddy_A_G8_U9	AAA	AA00	66	0.21	AA00
009	1ddy_A_U9_G10	NAN	NANT	0	0.41	IC02
010	1ddy_A_G10_C11	NAN	NANT	0	0.87	IC07
011	1ddy_A_C11_G12	NAN	NANT	0	1.09	OP25
012	1ddy_A_G12_C13	NAN	NANT	0	0.71	AB02
013	1ddy_A_C13_A14	NAN	NANT	0	0.39	ZZ01
014	1ddy_A_A14_U15	NAN	NANT	0	0.78	IC05
015	1ddy_A_U15_A16	NAN	NANT	0	1.14	OP27
016	1ddy_A_A16_A17	AAA	AA08	51	0.31	AA08
017	1ddy_A_A17_C18	AAA	AA00	64	0.32	AA00
018	1ddy_A_C18_C19	AAA	AA00	48	0.38	AA00
019	1ddy_A_C19_A20	AAA	AA00	80	0.24	AA00
020	1ddy_A_A20_C21	AAw	AA06	75	0.28	AA06
021	1ddy_A_C21_C22	NAN	NANT	0	0.63	AA03
022	1ddy_A_C22_U23	NAN	NANT	0	0.61	OP10
023	1ddy_A_U23_C24	NAN	NANT	0	1.81	OP09
024	1ddy_A_C24_A25	OPN	OP11	49	0.49	OP11
025	1ddy_A_A25_G26	NAN	NANT	0	1.45	IC01
026	1ddy_A_G26_U27	NAN	NANT	0	0.81	BB08
027	1ddy_A_U27_G28	NAN	NANT	0	0.36	OP26
028	1ddy_A_G28_C29	AAA	AA00	57	0.40	AA00
029	1ddy_A_C29_G30	ZZZ	ZZ01	27	0.30	ZZ01
030	1ddy_A_G30_A31	NAN	NANT	0	1.32	OP24
031	1ddy_A_A31_G32	AAw	AA01	74	0.17	AA01
032	1ddy_A_G32_C33	AAA	AA00	58	0.15	AA00
033	1ddy_A_C33_A34	AAA	AA00	85	0.25	AA00
034	1ddy_A_A34_A35	AAA	AA00	72	0.12	AA00
035	1ddy_C_G201_G202	AAw	AA01	30	0.29	AA01
036	1ddy_C_G202_A203	AAA	AA08	70	0.22	AA08
037	1ddy_C_A203_A204	AAA	AA00	68	0.15	AA00
038	1ddy_C_A204_C205	AAw	AA01	83	0.27	AA01
039	1ddy_C_C205_C206	AAA	AA08	79	0.17	AA08
040	1ddy_C_C206_G207	AAA	AA00	84	0.15	AA00
041	1ddy_C_G207_G208	AAA	AA00	89	0.23	AA00
042	1ddy_C_G208_U209	AAA	AA00	76	0.19	AA00
043	1ddy_C_U209_G210	NAN	NANT	0	0.47	IC02
044	1ddy_C_G210_C211	NAN	NANT	0	0.96	IC07
045	1ddy_C_C211_G212	NAN	NANT	0	1.17	OP25
046	1ddy_C_G212_C213	NAN	NANT	0	0.66	AB02
047	1ddy_C_C213_A214	ZZZ	ZZ01	57	0.24	ZZ01
048	1ddy_C_A214_U215	NAN	NANT	0	0.97	OP22
049	1ddy_C_U215_A216	NAN	NANT	0	1.14	OP27
050	1ddy_C_A216_A217	AAA	AA00	27	0.31	AA00
051	1ddy_C_A217_C218	AAA	AA00	60	0.32	AA00
052	1ddy_C_C218_C219	AAA	AA00	20	0.38	AA00
053	1ddy_C_C219_A220	AAA	AA00	88	0.26	AA00
054	1ddy_C_A220_C221	AAA	AA00	80	0.22	AA00
055	1ddy_C_C221_C222	A-B	AB05	78	0.30	AB05
056	1ddy_C_C222_U223	OPN	OP22	81	0.57	OP22
057	1ddy_C_U223_C224	NAN	NANT	0	0.67	OP21
058	1ddy_C_C224_A225	NAN	NANT	0	1.93	OP16
059	1ddy_C_A225_G226	NAN	NANT	0	1.35	IC03
060	1ddy_C_G226_U227	NAN	NANT	0	0.81	BB08
061	1ddy_C_U227_G228	NAN	NANT	0	0.40	OP26
062	1ddy_C_G228_C229	AAA	AA00	63	0.37	AA00
063	1ddy_C_C229_G230	ZZZ	ZZ01	28	0.31	ZZ01
064	1ddy_C_G230_A231	NAN	NANT	0	1.28	OP24
065	1ddy_C_A231_G232	AAw	AA01	75	0.18	AA01
066	1ddy_C_G232_C233	AAA	AA08	86	0.18	AA08
067	1ddy_C_C233_A234	AAA	AA08	75	0.25	AA08
068	1ddy_C_A234_A235	AAA	AA00	68	0.18	AA00
069	1ddy_E_G401_G402	AAA	AA08	18	0.39	AA08
070	1ddy_E_G402_A403	AAw	AA01	46	0.45	AA01
071	1ddy_E_A403_A404	AAA	AA08	89	0.28	AA08
072	1ddy_E_A404_C405	AAw	AA01	67	0.33	AA01
073	1ddy_E_C405_C406	AAA	AA00	76	0.27	AA00
074	1ddy_E_C406_G407	AAA	AA00	93	0.09	AA00
075	1ddy_E_G407_G408	AAA	AA00	78	0.32	AA00
076	1ddy_E_G408_U409	AAA	AA00	75	0.25	AA00
077	1ddy_E_U409_G410	NAN	NANT	0	0.57	IC03
078	1ddy_E_G410_C411	NAN	NANT	0	0.76	BB13
079	1ddy_E_C411_G412	NAN	NANT	0	1.35	OP03
080	1ddy_E_G412_C413	NAN	NANT	0	0.69	AB02
081	1ddy_E_C413_A414	ZZZ	ZZ01	67	0.28	ZZ01
082	1ddy_E_A414_U415	NAN	NANT	0	1.04	OP22
083	1ddy_E_U415_A416	NAN	NANT	0	1.07	OP15
084	1ddy_E_A416_A417	AAA	AA00	74	0.29	AA00
085	1ddy_E_A417_C418	AAA	AA00	59	0.35	AA00
086	1ddy_E_C418_C419	AAA	AA00	54	0.33	AA00
087	1ddy_E_C419_A420	AAA	AA00	57	0.34	AA00
088	1ddy_E_A420_C421	AAA	AA00	86	0.18	AA00
089	1ddy_E_C421_C422	A-B	AB05	85	0.27	AB05
090	1ddy_E_C422_U423	OPN	OP22	75	0.57	OP22
091	1ddy_E_U423_C424	NAN	NANT	0	0.76	OP21
092	1ddy_E_C424_A425	NAN	NANT	0	0.83	OP11
093	1ddy_E_A425_G426	NAN	NANT	0	1.17	IC01
094	1ddy_E_G426_U427	NAN	NANT	0	0.82	BB08
095	1ddy_E_U427_G428	NAN	NANT	0	0.47	OP26
096	1ddy_E_G428_C429	AAA	AA00	33	0.41	AA00
097	1ddy_E_C429_G430	ZZZ	ZZ01	29	0.32	ZZ01
098	1ddy_E_G430_A431	NAN	NANT	0	1.29	OP24
099	1ddy_E_A431_G432	AAw	AA01	61	0.22	AA01
100	1ddy_E_G432_C433	AAA	AA08	77	0.18	AA08
101	1ddy_E_C433_A434	AAA	AA00	70	0.24	AA00
102	1ddy_E_A434_A435	AAA	AA00	57	0.15	AA00
103	1ddy_G_G601_G602	AAA	AA00	38	0.33	AA00
104	1ddy_G_G602_A603	AAw	AA01	61	0.30	AA01
105	1ddy_G_A603_A604	NAN	NANT	0	0.71	BA09
106	1ddy_G_A604_C605	AAw	AA01	28	0.44	AA01
107	1ddy_G_C605_C606	AAA	AA00	74	0.18	AA00
108	1ddy_G_C606_G607	AAA	AA00	87	0.15	AA00
109	1ddy_G_G607_G608	AAA	AA00	85	0.22	AA00
110	1ddy_G_G608_U609	AAA	AA00	87	0.16	AA00
111	1ddy_G_U609_G610	NAN	NANT	0	0.40	IC02
112	1ddy_G_G610_C611	NAN	NANT	0	0.89	IC07
113	1ddy_G_C611_G612	NAN	NANT	0	1.18	OP04
114	1ddy_G_G612_C613	NAN	NANT	0	0.74	AB02
115	1ddy_G_C613_A614	ZZZ	ZZ01	50	0.32	ZZ01
116	1ddy_G_A614_U615	NAN	NANT	0	0.90	OP22
117	1ddy_G_U615_A616	NAN	NANT	0	1.17	OP27
118	1ddy_G_A616_A617	AAA	AA08	70	0.26	AA08
119	1ddy_G_A617_C618	AAA	AA00	73	0.31	AA00
120	1ddy_G_C618_C619	AAA	AA00	16	0.39	AA00
121	1ddy_G_C619_A620	AAA	AA00	76	0.25	AA00
122	1ddy_G_A620_C621	AAA	AA08	93	0.18	AA08
123	1ddy_G_C621_C622	A-B	AB05	67	0.22	AB05
124	1ddy_G_C622_U623	NAN	NANT	0	1.67	OP27
125	1ddy_G_U623_C624	NAN	NANT	0	1.19	OP29
126	1ddy_G_C624_A625	NAN	NANT	0	1.19	OP13
127	1ddy_G_A625_G626	NAN	NANT	0	1.46	IC01
128	1ddy_G_G626_U627	NAN	NANT	0	0.88	BB08
129	1ddy_G_U627_G628	NAN	NANT	0	0.39	OP26
130	1ddy_G_G628_C629	AAA	AA00	74	0.33	AA00
131	1ddy_G_C629_G630	ZZZ	ZZ01	52	0.28	ZZ01
132	1ddy_G_G630_A631	NAN	NANT	0	1.30	OP24
133	1ddy_G_A631_G632	AAw	AA01	72	0.20	AA01
134	1ddy_G_G632_C633	AAA	AA08	86	0.16	AA08
135	1ddy_G_C633_A634	AAA	AA00	81	0.26	AA00
136	1ddy_G_A634_A635	AAA	AA00	70	0.20	AA00

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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Results of the assignment of 136 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

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