DNATCO v4.1: results

CRYSTAL STRUCTURE OF A VITAMIN B12 BINDING RNA APTAMER WITH LIGAND AT 2.3 A

Results of the assignment of 170 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	1et4_A_G201_G202	AAA	AA00	37	0.29	AA00
002	1et4_A_G202_A203	AAA	AA00	58	0.26	AA00
003	1et4_A_A203_A204	AAA	AA00	81	0.18	AA00
004	1et4_A_A204_C205	AAw	AA01	46	0.36	AA01
005	1et4_A_C205_C206	AAA	AA08	28	0.26	AA08
006	1et4_A_C206_G207	AAA	AA00	85	0.14	AA00
007	1et4_A_G207_G208	AAA	AA00	72	0.25	AA00
008	1et4_A_G208_U209	AAA	AA00	80	0.23	AA00
009	1et4_A_U209_G210	NAN	NANT	0	0.51	IC02
010	1et4_A_G210_C211	NAN	NANT	0	0.93	OP08
011	1et4_A_C211_G212	NAN	NANT	0	1.23	OP04
012	1et4_A_G212_C213	NAN	NANT	0	0.33	AA04
013	1et4_A_C213_A214	ZZZ	ZZ01	89	0.20	ZZ01
014	1et4_A_A214_U215	NAN	NANT	0	0.78	IC05
015	1et4_A_U215_A216	NAN	NANT	0	1.15	OP27
016	1et4_A_A216_A217	AAA	AA00	59	0.31	AA00
017	1et4_A_A217_C218	AAA	AA00	75	0.27	AA00
018	1et4_A_C218_C219	AAA	AA00	54	0.34	AA00
019	1et4_A_C219_A220	AAA	AA00	67	0.30	AA00
020	1et4_A_A220_C221	AAA	AA00	81	0.21	AA00
021	1et4_A_C221_C222	A-B	AB05	87	0.26	AB05
022	1et4_A_C222_U223	OPN	OP22	80	0.59	OP22
023	1et4_A_U223_C224	NAN	NANT	0	0.76	OP21
024	1et4_A_C224_A225	NAN	NANT	0	0.83	OP11
025	1et4_A_A225_G226	NAN	NANT	0	1.37	IC03
026	1et4_A_G226_U227	NAN	NANT	0	0.81	BB08
027	1et4_A_U227_G228	NAN	NANT	0	0.47	OP26
028	1et4_A_G228_C229	AAA	AA00	46	0.45	AA00
029	1et4_A_C229_G230	NAN	NANT	0	0.27	ZZ01
030	1et4_A_G230_A231	NAN	NANT	0	1.33	OP24
031	1et4_A_A231_G232	AAw	AA01	25	0.28	AA01
032	1et4_A_G232_C233	AAA	AA08	87	0.18	AA08
033	1et4_A_C233_A234	AAA	AA00	74	0.27	AA00
034	1et4_A_A234_A235	AAA	AA00	80	0.18	AA00
035	1et4_B_G301_G302	AAA	AA00	41	0.38	AA00
036	1et4_B_G302_A303	AAw	AA06	66	0.16	AA06
037	1et4_B_A303_A304	NAN	NANT	0	0.77	BA09
038	1et4_B_A304_C305	AAw	AA01	26	0.42	AA01
039	1et4_B_C305_C306	AAA	AA00	69	0.24	AA00
040	1et4_B_C306_G307	AAA	AA00	80	0.15	AA00
041	1et4_B_G307_G308	AAA	AA00	85	0.22	AA00
042	1et4_B_G308_U309	AAA	AA00	92	0.15	AA00
043	1et4_B_U309_G310	NAN	NANT	0	0.42	IC02
044	1et4_B_G310_C311	NAN	NANT	0	0.80	IC07
045	1et4_B_C311_G312	NAN	NANT	0	1.20	OP04
046	1et4_B_G312_C313	NAN	NANT	0	0.72	AB02
047	1et4_B_C313_A314	ZZZ	ZZ01	32	0.27	ZZ01
048	1et4_B_A314_U315	NAN	NANT	0	0.84	IC05
049	1et4_B_U315_A316	NAN	NANT	0	1.18	OP27
050	1et4_B_A316_A317	AAA	AA00	64	0.28	AA00
051	1et4_B_A317_C318	AAA	AA00	59	0.33	AA00
052	1et4_B_C318_C319	AAA	AA08	79	0.29	AA08
053	1et4_B_C319_A320	AAA	AA00	80	0.26	AA00
054	1et4_B_A320_C321	AAA	AA00	77	0.28	AA00
055	1et4_B_C321_C322	A-B	AB05	79	0.23	AB05
056	1et4_B_C322_U323	NAN	NANT	0	0.58	OP10
057	1et4_B_U323_C324	NAN	NANT	0	1.33	OP29
058	1et4_B_C324_A325	OPN	OP11	34	0.53	OP11
059	1et4_B_A325_G326	NAN	NANT	0	1.27	OP28
060	1et4_B_G326_U327	NAN	NANT	0	0.84	BB08
061	1et4_B_U327_G328	NAN	NANT	0	0.38	OP26
062	1et4_B_G328_C329	AAA	AA00	61	0.39	AA00
063	1et4_B_C329_G330	ZZZ	ZZ01	80	0.23	ZZ01
064	1et4_B_G330_A331	NAN	NANT	0	1.37	OP24
065	1et4_B_A331_G332	AAw	AA01	88	0.16	AA01
066	1et4_B_G332_C333	AAA	AA00	74	0.15	AA00
067	1et4_B_C333_A334	AAA	AA00	87	0.23	AA00
068	1et4_B_A334_A335	AAA	AA00	77	0.17	AA00
069	1et4_C_G401_G402	AAA	AA00	30	0.31	AA00
070	1et4_C_G402_A403	AAA	AA00	89	0.15	AA00
071	1et4_C_A403_A404	AAA	AA00	80	0.22	AA00
072	1et4_C_A404_C405	AAw	AA01	82	0.25	AA01
073	1et4_C_C405_C406	AAA	AA00	68	0.25	AA00
074	1et4_C_C406_G407	AAA	AA00	91	0.16	AA00
075	1et4_C_G407_G408	AAA	AA00	77	0.22	AA00
076	1et4_C_G408_U409	AAA	AA00	84	0.16	AA00
077	1et4_C_U409_G410	NAN	NANT	0	0.50	IC02
078	1et4_C_G410_C411	NAN	NANT	0	1.04	IC07
079	1et4_C_C411_G412	NAN	NANT	0	1.19	OP04
080	1et4_C_G412_C413	NAN	NANT	0	0.65	AB02
081	1et4_C_C413_A414	ZZZ	ZZ01	62	0.24	ZZ01
082	1et4_C_A414_U415	NAN	NANT	0	0.98	OP22
083	1et4_C_U415_A416	NAN	NANT	0	1.19	OP27
084	1et4_C_A416_A417	AAA	AA00	58	0.26	AA00
085	1et4_C_A417_C418	AAA	AA00	71	0.31	AA00
086	1et4_C_C418_C419	AAA	AA00	54	0.34	AA00
087	1et4_C_C419_A420	AAA	AA00	84	0.27	AA00
088	1et4_C_A420_C421	AAA	AA00	87	0.19	AA00
089	1et4_C_C421_C422	A-B	AB05	87	0.27	AB05
090	1et4_C_C422_U423	OPN	OP22	71	0.58	OP22
091	1et4_C_U423_C424	OPN	OP21	26	0.42	OP21
092	1et4_C_C424_A425	NAN	NANT	0	1.03	OP13
093	1et4_C_A425_G426	NAN	NANT	0	1.35	IC03
094	1et4_C_G426_U427	NAN	NANT	0	0.80	BB08
095	1et4_C_U427_G428	NAN	NANT	0	0.44	OP26
096	1et4_C_G428_C429	AAA	AA00	59	0.40	AA00
097	1et4_C_C429_G430	ZZZ	ZZ01	53	0.26	ZZ01
098	1et4_C_G430_A431	NAN	NANT	0	1.29	OP24
099	1et4_C_A431_G432	AAw	AA01	83	0.19	AA01
100	1et4_C_G432_C433	AAA	AA00	59	0.22	AA00
101	1et4_C_C433_A434	AAA	AA00	71	0.26	AA00
102	1et4_C_A434_A435	AAA	AA08	87	0.16	AA08
103	1et4_D_G501_G502	AAA	AA00	57	0.29	AA00
104	1et4_D_G502_A503	AAA	AA00	77	0.22	AA00
105	1et4_D_A503_A504	AAA	AA00	66	0.20	AA00
106	1et4_D_A504_C505	AAw	AA01	57	0.28	AA01
107	1et4_D_C505_C506	AAA	AA00	82	0.20	AA00
108	1et4_D_C506_G507	AAA	AA00	83	0.18	AA00
109	1et4_D_G507_G508	AAA	AA00	61	0.23	AA00
110	1et4_D_G508_U509	AAA	AA00	74	0.23	AA00
111	1et4_D_U509_G510	NAN	NANT	0	0.46	IC02
112	1et4_D_G510_C511	NAN	NANT	0	0.84	IC07
113	1et4_D_C511_G512	NAN	NANT	0	1.16	OP04
114	1et4_D_G512_C513	NAN	NANT	0	0.66	AB02
115	1et4_D_C513_A514	NAN	NANT	0	0.32	ZZ01
116	1et4_D_A514_U515	NAN	NANT	0	0.97	OP22
117	1et4_D_U515_A516	NAN	NANT	0	1.20	OP27
118	1et4_D_A516_A517	AAA	AA00	66	0.26	AA00
119	1et4_D_A517_C518	AAA	AA00	75	0.29	AA00
120	1et4_D_C518_C519	AAA	AA00	59	0.33	AA00
121	1et4_D_C519_A520	AAA	AA00	84	0.26	AA00
122	1et4_D_A520_C521	AAA	AA00	86	0.20	AA00
123	1et4_D_C521_C522	A-B	AB05	80	0.27	AB05
124	1et4_D_C522_U523	NAN	NANT	0	1.68	OP27
125	1et4_D_U523_C524	NAN	NANT	0	1.24	OP29
126	1et4_D_C524_A525	NAN	NANT	0	1.05	OP13
127	1et4_D_A525_G526	NAN	NANT	0	1.41	IC01
128	1et4_D_G526_U527	NAN	NANT	0	0.85	BB08
129	1et4_D_U527_G528	NAN	NANT	0	0.42	OP26
130	1et4_D_G528_C529	AAA	AA00	62	0.39	AA00
131	1et4_D_C529_G530	ZZZ	ZZ01	54	0.23	ZZ01
132	1et4_D_G530_A531	NAN	NANT	0	1.29	OP24
133	1et4_D_A531_G532	AAw	AA06	44	0.43	AA06
134	1et4_D_G532_C533	AAA	AA00	57	0.21	AA00
135	1et4_D_C533_A534	AAA	AA00	65	0.31	AA00
136	1et4_D_A534_A535	AAA	AA00	59	0.21	AA00
137	1et4_E_G101_G102	AAw	AA01	44	0.37	AA01
138	1et4_E_G102_A103	AAA	AA08	86	0.26	AA08
139	1et4_E_A103_A104	AAA	AA00	61	0.20	AA00
140	1et4_E_A104_C105	AAw	AA01	63	0.32	AA01
141	1et4_E_C105_C106	AAA	AA00	72	0.22	AA00
142	1et4_E_C106_G107	AAA	AA00	89	0.14	AA00
143	1et4_E_G107_G108	AAA	AA00	86	0.22	AA00
144	1et4_E_G108_U109	AAA	AA00	76	0.21	AA00
145	1et4_E_U109_G110	NAN	NANT	0	0.49	IC02
146	1et4_E_G110_C111	NAN	NANT	0	0.92	IC07
147	1et4_E_C111_G112	NAN	NANT	0	1.15	OP25
148	1et4_E_G112_C113	NAN	NANT	0	0.63	AB02
149	1et4_E_C113_A114	ZZZ	ZZ01	81	0.25	ZZ01
150	1et4_E_A114_U115	NAN	NANT	0	0.98	OP22
151	1et4_E_U115_A116	NAN	NANT	0	1.15	OP27
152	1et4_E_A116_A117	AAA	AA08	61	0.24	AA08
153	1et4_E_A117_C118	AAA	AA00	69	0.29	AA00
154	1et4_E_C118_C119	AAA	AA00	59	0.33	AA00
155	1et4_E_C119_A120	AAA	AA00	85	0.27	AA00
156	1et4_E_A120_C121	AAA	AA00	83	0.21	AA00
157	1et4_E_C121_C122	A-B	AB05	85	0.24	AB05
158	1et4_E_C122_U123	OPN	OP22	71	0.55	OP22
159	1et4_E_U123_C124	NAN	NANT	0	0.70	OP21
160	1et4_E_C124_A125	NAN	NANT	0	0.75	OP11
161	1et4_E_A125_G126	NAN	NANT	0	1.36	IC03
162	1et4_E_G126_U127	NAN	NANT	0	0.60	BB07
163	1et4_E_U127_G128	NAN	NANT	0	0.58	OP26
164	1et4_E_G128_C129	AAA	AA00	60	0.41	AA00
165	1et4_E_C129_G130	ZZZ	ZZ01	61	0.28	ZZ01
166	1et4_E_G130_A131	NAN	NANT	0	1.27	OP24
167	1et4_E_A131_G132	AAw	AA06	89	0.33	AA06
168	1et4_E_G132_C133	AAA	AA08	73	0.19	AA08
169	1et4_E_C133_A134	AAA	AA00	69	0.20	AA00
170	1et4_E_A134_A135	AAA	AA00	78	0.16	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 170 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

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Definitions

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