DNATCO v4.1: results

Transitional unit cell 1 of adenine riboswitch aptamer crystal phase transition upon ligand binding

Results of the assignment of 140 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	6vwt_A_G13_G14	AAA	AA08	50	0.32	AA08
002	6vwt_A_G14_G15	AAA	AA00	93	0.11	AA00
003	6vwt_A_G15_A16	AAA	AA00	93	0.16	AA00
004	6vwt_A_A16_A17	AAA	AA00	88	0.10	AA00
005	6vwt_A_A17_G18	AAA	AA00	76	0.11	AA00
006	6vwt_A_G18_A19	AAA	AA08	86	0.18	AA08
007	6vwt_A_A19_U20	AAA	AA00	78	0.14	AA00
008	6vwt_A_U20_A21	AAA	AA00	59	0.30	AA00
009	6vwt_A_A21_U22	NAN	NANT	0	0.69	OP04
010	6vwt_A_U22_A23	NAN	NANT	0	0.69	ZZ1S
011	6vwt_A_A23_A24	NAN	NANT	0	1.00	OP29
012	6vwt_A_A24_U25	OPN	OP01	68	0.30	OP01
013	6vwt_A_U25_C26	AAA	AA00	91	0.13	AA00
014	6vwt_A_C26_C27	AAA	AA00	89	0.09	AA00
015	6vwt_A_C27_U28	AAA	AA00	92	0.17	AA00
016	6vwt_A_U28_A29	AAA	AA00	72	0.16	AA00
017	6vwt_A_A29_A30	AAw	AA06	90	0.17	AA06
018	6vwt_A_A30_U31	AAA	AA08	83	0.33	AA08
019	6vwt_A_U31_G32	AAA	AA00	67	0.13	AA00
020	6vwt_A_G32_A33	AAw	AA01	41	0.43	AA01
021	6vwt_A_A33_U34	A-B	AB05	54	0.27	AB05
022	6vwt_A_U34_A35	NAN	NANT	0	1.04	OP22
023	6vwt_A_A35_U36	NAN	NANT	0	0.57	OP21
024	6vwt_A_U36_G37	OPN	OP11	65	0.44	OP11
025	6vwt_A_G37_G38	AAA	AA00	89	0.16	AA00
026	6vwt_A_G38_U39	OPN	OP01	89	0.43	OP01
027	6vwt_A_U39_U40	AAA	AA00	83	0.23	AA00
028	6vwt_A_U40_U41	AAw	AA01	84	0.19	AA01
029	6vwt_A_U41_G42	AAA	AA00	60	0.13	AA00
030	6vwt_A_G42_G43	AAA	AA08	89	0.17	AA08
031	6vwt_A_G43_G44	AAA	AA08	84	0.20	AA08
032	6vwt_A_G44_A45	AAA	AA00	87	0.16	AA00
033	6vwt_A_A45_G46	AAA	AA00	48	0.33	AA00
034	6vwt_A_G46_U47	NAN	NANT	0	0.67	AB05
035	6vwt_A_U47_U48	NAN	NANT	0	0.69	OP17
036	6vwt_A_U48_U49	NAN	NANT	0	0.53	OP20
037	6vwt_A_U49_C50	OPN	OP15	30	0.76	OP15
038	6vwt_A_C50_U51	AAA	AA00	42	0.45	AA00
039	6vwt_A_U51_A52	AAA	AA00	88	0.20	AA00
040	6vwt_A_A52_C53	AAA	AA08	79	0.23	AA08
041	6vwt_A_C53_C54	NAN	NANT	0	0.50	OP01
042	6vwt_A_C54_A55	AAA	AA00	96	0.14	AA00
043	6vwt_A_A55_A56	AAA	AA00	73	0.14	AA00
044	6vwt_A_A56_G57	AAA	AA00	80	0.19	AA00
045	6vwt_A_G57_A58	AAA	AA00	75	0.16	AA00
046	6vwt_A_A58_G59	AAA	AA00	73	0.18	AA00
047	6vwt_A_G59_C60	AAA	AA00	55	0.30	AA00
048	6vwt_A_C60_C61	AAA	AA00	79	0.13	AA00
049	6vwt_A_C61_U62	NAN	NANT	0	0.64	IC04
050	6vwt_A_U62_U63	NAN	NANT	0	0.38	OP22
051	6vwt_A_U63_A64	NAN	NANT	0	0.70	ZZ1S
052	6vwt_A_A64_A65	NAN	NANT	0	0.64	BBS1
053	6vwt_A_A65_A66	B-A	BA16	25	0.37	BA16
054	6vwt_A_A66_C67	NAN	NANT	0	0.90	AA11
055	6vwt_A_C67_U68	AAA	AA00	83	0.17	AA00
056	6vwt_A_U68_C69	AAA	AA00	92	0.12	AA00
057	6vwt_A_C69_U70	AAA	AA00	94	0.13	AA00
058	6vwt_A_U70_U71	AAA	AA00	89	0.14	AA00
059	6vwt_A_U71_G72	AAA	AA00	93	0.11	AA00
060	6vwt_A_G72_A73	NAN	NANT	0	0.68	AA10
061	6vwt_A_A73_U74	AAA	AA08	84	0.18	AA08
062	6vwt_A_U74_U75	AAA	AA00	78	0.19	AA00
063	6vwt_A_U75_A76	AAA	AA00	72	0.12	AA00
064	6vwt_A_A76_U77	AAA	AA00	78	0.17	AA00
065	6vwt_A_U77_C78	AAA	AA00	91	0.09	AA00
066	6vwt_A_C78_U79	AAA	AA00	92	0.11	AA00
067	6vwt_A_U79_U80	AAA	AA00	98	0.09	AA00
068	6vwt_A_U80_C81	AAA	AA00	90	0.12	AA00
069	6vwt_A_C81_C82	AAA	AA00	84	0.10	AA00
070	6vwt_A_C82_C83	AAA	AA00	93	0.10	AA00
071	6vwt_B_G13_G14	AAA	AA08	50	0.31	AA08
072	6vwt_B_G14_G15	AAA	AA00	93	0.11	AA00
073	6vwt_B_G15_A16	AAA	AA00	93	0.16	AA00
074	6vwt_B_A16_A17	AAA	AA00	88	0.10	AA00
075	6vwt_B_A17_G18	AAA	AA00	76	0.11	AA00
076	6vwt_B_G18_A19	AAA	AA08	86	0.18	AA08
077	6vwt_B_A19_U20	AAA	AA00	78	0.14	AA00
078	6vwt_B_U20_A21	AAA	AA00	59	0.30	AA00
079	6vwt_B_A21_U22	NAN	NANT	0	0.69	OP04
080	6vwt_B_U22_A23	NAN	NANT	0	0.69	ZZ1S
081	6vwt_B_A23_A24	NAN	NANT	0	1.00	OP29
082	6vwt_B_A24_U25	OPN	OP01	68	0.30	OP01
083	6vwt_B_U25_C26	AAA	AA00	91	0.13	AA00
084	6vwt_B_C26_C27	AAA	AA00	89	0.09	AA00
085	6vwt_B_C27_U28	AAA	AA00	92	0.17	AA00
086	6vwt_B_U28_A29	AAA	AA00	72	0.16	AA00
087	6vwt_B_A29_A30	AAw	AA06	90	0.17	AA06
088	6vwt_B_A30_U31	AAA	AA08	83	0.33	AA08
089	6vwt_B_U31_G32	AAA	AA00	67	0.13	AA00
090	6vwt_B_G32_A33	AAw	AA01	41	0.44	AA01
091	6vwt_B_A33_U34	A-B	AB05	54	0.27	AB05
092	6vwt_B_U34_A35	NAN	NANT	0	1.04	OP22
093	6vwt_B_A35_U36	NAN	NANT	0	0.57	OP21
094	6vwt_B_U36_G37	OPN	OP11	65	0.44	OP11
095	6vwt_B_G37_G38	AAA	AA00	89	0.16	AA00
096	6vwt_B_G38_U39	OPN	OP01	89	0.43	OP01
097	6vwt_B_U39_U40	AAA	AA00	83	0.23	AA00
098	6vwt_B_U40_U41	AAw	AA01	84	0.19	AA01
099	6vwt_B_U41_G42	AAA	AA00	61	0.13	AA00
100	6vwt_B_G42_G43	AAA	AA08	89	0.17	AA08
101	6vwt_B_G43_G44	AAA	AA08	85	0.20	AA08
102	6vwt_B_G44_A45	AAA	AA00	87	0.16	AA00
103	6vwt_B_A45_G46	AAA	AA00	48	0.33	AA00
104	6vwt_B_G46_U47	NAN	NANT	0	0.67	AB05
105	6vwt_B_U47_U48	NAN	NANT	0	0.69	OP17
106	6vwt_B_U48_U49	NAN	NANT	0	0.53	OP20
107	6vwt_B_U49_C50	OPN	OP15	30	0.76	OP15
108	6vwt_B_C50_U51	AAA	AA00	42	0.45	AA00
109	6vwt_B_U51_A52	AAA	AA00	88	0.20	AA00
110	6vwt_B_A52_C53	AAA	AA08	79	0.23	AA08
111	6vwt_B_C53_C54	NAN	NANT	0	0.50	OP01
112	6vwt_B_C54_A55	AAA	AA00	96	0.14	AA00
113	6vwt_B_A55_A56	AAA	AA00	74	0.14	AA00
114	6vwt_B_A56_G57	AAA	AA00	80	0.19	AA00
115	6vwt_B_G57_A58	AAA	AA00	75	0.16	AA00
116	6vwt_B_A58_G59	AAA	AA00	73	0.18	AA00
117	6vwt_B_G59_C60	AAA	AA00	55	0.30	AA00
118	6vwt_B_C60_C61	AAA	AA00	79	0.13	AA00
119	6vwt_B_C61_U62	NAN	NANT	0	0.64	IC04
120	6vwt_B_U62_U63	NAN	NANT	0	0.38	OP22
121	6vwt_B_U63_A64	NAN	NANT	0	0.70	ZZ1S
122	6vwt_B_A64_A65	NAN	NANT	0	0.64	BBS1
123	6vwt_B_A65_A66	B-A	BA16	25	0.37	BA16
124	6vwt_B_A66_C67	NAN	NANT	0	0.90	AA11
125	6vwt_B_C67_U68	AAA	AA00	83	0.17	AA00
126	6vwt_B_U68_C69	AAA	AA00	92	0.12	AA00
127	6vwt_B_C69_U70	AAA	AA00	94	0.13	AA00
128	6vwt_B_U70_U71	AAA	AA00	89	0.14	AA00
129	6vwt_B_U71_G72	AAA	AA00	93	0.11	AA00
130	6vwt_B_G72_A73	NAN	NANT	0	0.68	AA10
131	6vwt_B_A73_U74	AAA	AA08	84	0.18	AA08
132	6vwt_B_U74_U75	AAA	AA00	77	0.19	AA00
133	6vwt_B_U75_A76	AAA	AA00	72	0.12	AA00
134	6vwt_B_A76_U77	AAA	AA00	78	0.17	AA00
135	6vwt_B_U77_C78	AAA	AA00	92	0.09	AA00
136	6vwt_B_C78_U79	AAA	AA00	92	0.11	AA00
137	6vwt_B_U79_U80	AAA	AA00	98	0.09	AA00
138	6vwt_B_U80_C81	AAA	AA00	90	0.12	AA00
139	6vwt_B_C81_C82	AAA	AA00	84	0.10	AA00
140	6vwt_B_C82_C83	AAA	AA00	93	0.10	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 140 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

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User-based restraints

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