DNATCO v4.1: results

Transitional unit cell 2 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	6vwv_A_G13_G14	AAA	AA00	76	0.21	AA00
002	6vwv_A_G14_G15	AAA	AA00	84	0.21	AA00
003	6vwv_A_G15_A16	AAA	AA00	91	0.09	AA00
004	6vwv_A_A16_A17	AAA	AA08	42	0.24	AA08
005	6vwv_A_A17_G18	AAA	AA08	88	0.15	AA08
006	6vwv_A_G18_A19	AAA	AA00	75	0.11	AA00
007	6vwv_A_A19_U20	AAA	AA00	81	0.13	AA00
008	6vwv_A_U20_A21	AAA	AA00	72	0.29	AA00
009	6vwv_A_A21_U22	NAN	NANT	0	0.75	OP04
010	6vwv_A_U22_A23	NAN	NANT	0	0.63	ZZ1S
011	6vwv_A_A23_A24	NAN	NANT	0	0.94	OP29
012	6vwv_A_A24_U25	OPN	OP01	87	0.34	OP01
013	6vwv_A_U25_C26	AAA	AA00	96	0.14	AA00
014	6vwv_A_C26_C27	AAA	AA00	92	0.11	AA00
015	6vwv_A_C27_U28	AAA	AA00	72	0.20	AA00
016	6vwv_A_U28_A29	AAA	AA08	73	0.30	AA08
017	6vwv_A_A29_A30	AAw	AA06	79	0.20	AA06
018	6vwv_A_A30_U31	AAA	AA08	68	0.28	AA08
019	6vwv_A_U31_G32	AAA	AA00	61	0.29	AA00
020	6vwv_A_G32_A33	AAw	AA01	19	0.56	AA01
021	6vwv_A_A33_U34	A-B	AB05	79	0.20	AB05
022	6vwv_A_U34_A35	NAN	NANT	0	0.99	OP22
023	6vwv_A_A35_U36	NAN	NANT	0	0.51	OP21
024	6vwv_A_U36_G37	OPN	OP11	84	0.39	OP11
025	6vwv_A_G37_G38	AAA	AA00	62	0.18	AA00
026	6vwv_A_G38_U39	OPN	OP01	78	0.41	OP01
027	6vwv_A_U39_U40	AAA	AA00	87	0.19	AA00
028	6vwv_A_U40_U41	AAw	AA01	86	0.18	AA01
029	6vwv_A_U41_G42	AAA	AA00	66	0.16	AA00
030	6vwv_A_G42_G43	AAA	AA00	83	0.18	AA00
031	6vwv_A_G43_G44	AAA	AA00	73	0.14	AA00
032	6vwv_A_G44_A45	AAA	AA00	85	0.15	AA00
033	6vwv_A_A45_G46	AAA	AA00	68	0.33	AA00
034	6vwv_A_G46_U47	NAN	NANT	0	0.60	IC01
035	6vwv_A_U47_U48	NAN	NANT	0	0.69	OP17
036	6vwv_A_U48_U49	NAN	NANT	0	0.47	OP20
037	6vwv_A_U49_C50	OPN	OP15	49	0.69	OP15
038	6vwv_A_C50_U51	AAA	AA08	67	0.30	AA08
039	6vwv_A_U51_A52	AAA	AA00	74	0.30	AA00
040	6vwv_A_A52_C53	AAA	AA08	85	0.23	AA08
041	6vwv_A_C53_C54	NAN	NANT	0	0.50	OP01
042	6vwv_A_C54_A55	AAA	AA00	93	0.13	AA00
043	6vwv_A_A55_A56	AAA	AA00	88	0.11	AA00
044	6vwv_A_A56_G57	AAA	AA00	84	0.13	AA00
045	6vwv_A_G57_A58	AAA	AA00	68	0.18	AA00
046	6vwv_A_A58_G59	AAA	AA00	79	0.18	AA00
047	6vwv_A_G59_C60	AAA	AA00	36	0.40	AA00
048	6vwv_A_C60_C61	AAA	AA00	69	0.20	AA00
049	6vwv_A_C61_U62	NAN	NANT	0	0.79	IC04
050	6vwv_A_U62_U63	OPN	OP22	46	0.39	OP22
051	6vwv_A_U63_A64	NAN	NANT	0	1.47	OP24
052	6vwv_A_A64_A65	NAN	NANT	0	0.59	AB03
053	6vwv_A_A65_A66	B-A	BA10	45	0.31	BA10
054	6vwv_A_A66_C67	NAN	NANT	0	0.92	AA11
055	6vwv_A_C67_U68	AAA	AA00	93	0.17	AA00
056	6vwv_A_U68_C69	AAA	AA00	93	0.14	AA00
057	6vwv_A_C69_U70	AAA	AA00	96	0.10	AA00
058	6vwv_A_U70_U71	AAA	AA00	87	0.12	AA00
059	6vwv_A_U71_G72	AAA	AA00	89	0.13	AA00
060	6vwv_A_G72_A73	NAN	NANT	0	0.70	AA10
061	6vwv_A_A73_U74	AAA	AA00	80	0.24	AA00
062	6vwv_A_U74_U75	AAA	AA00	86	0.19	AA00
063	6vwv_A_U75_A76	AAA	AA00	76	0.15	AA00
064	6vwv_A_A76_U77	AAA	AA00	85	0.14	AA00
065	6vwv_A_U77_C78	AAA	AA00	88	0.17	AA00
066	6vwv_A_C78_U79	AAA	AA00	87	0.14	AA00
067	6vwv_A_U79_U80	AAA	AA00	96	0.12	AA00
068	6vwv_A_U80_C81	AAA	AA00	94	0.10	AA00
069	6vwv_A_C81_C82	AAA	AA00	53	0.24	AA00
070	6vwv_A_C82_C83	AAu	AA12	60	0.29	AA12
071	6vwv_B_G13_G14	AAA	AA00	76	0.21	AA00
072	6vwv_B_G14_G15	AAA	AA00	84	0.21	AA00
073	6vwv_B_G15_A16	AAA	AA00	91	0.09	AA00
074	6vwv_B_A16_A17	AAA	AA08	42	0.24	AA08
075	6vwv_B_A17_G18	AAA	AA08	88	0.15	AA08
076	6vwv_B_G18_A19	AAA	AA00	75	0.11	AA00
077	6vwv_B_A19_U20	AAA	AA00	81	0.13	AA00
078	6vwv_B_U20_A21	AAA	AA00	72	0.29	AA00
079	6vwv_B_A21_U22	NAN	NANT	0	0.75	OP04
080	6vwv_B_U22_A23	NAN	NANT	0	0.63	ZZ1S
081	6vwv_B_A23_A24	NAN	NANT	0	0.94	OP29
082	6vwv_B_A24_U25	OPN	OP01	87	0.34	OP01
083	6vwv_B_U25_C26	AAA	AA00	96	0.14	AA00
084	6vwv_B_C26_C27	AAA	AA00	92	0.11	AA00
085	6vwv_B_C27_U28	AAA	AA00	72	0.20	AA00
086	6vwv_B_U28_A29	AAA	AA08	73	0.30	AA08
087	6vwv_B_A29_A30	AAw	AA06	79	0.20	AA06
088	6vwv_B_A30_U31	AAA	AA08	69	0.28	AA08
089	6vwv_B_U31_G32	AAA	AA00	61	0.29	AA00
090	6vwv_B_G32_A33	AAw	AA01	20	0.56	AA01
091	6vwv_B_A33_U34	A-B	AB05	79	0.20	AB05
092	6vwv_B_U34_A35	NAN	NANT	0	0.99	OP22
093	6vwv_B_A35_U36	NAN	NANT	0	0.51	OP21
094	6vwv_B_U36_G37	OPN	OP11	84	0.39	OP11
095	6vwv_B_G37_G38	AAA	AA00	62	0.18	AA00
096	6vwv_B_G38_U39	OPN	OP01	78	0.41	OP01
097	6vwv_B_U39_U40	AAA	AA00	87	0.19	AA00
098	6vwv_B_U40_U41	AAw	AA01	86	0.18	AA01
099	6vwv_B_U41_G42	AAA	AA00	66	0.16	AA00
100	6vwv_B_G42_G43	AAA	AA00	82	0.18	AA00
101	6vwv_B_G43_G44	AAA	AA00	73	0.14	AA00
102	6vwv_B_G44_A45	AAA	AA00	85	0.15	AA00
103	6vwv_B_A45_G46	AAA	AA00	68	0.33	AA00
104	6vwv_B_G46_U47	NAN	NANT	0	0.60	IC01
105	6vwv_B_U47_U48	NAN	NANT	0	0.69	OP17
106	6vwv_B_U48_U49	NAN	NANT	0	0.47	OP20
107	6vwv_B_U49_C50	OPN	OP15	49	0.69	OP15
108	6vwv_B_C50_U51	AAA	AA08	67	0.30	AA08
109	6vwv_B_U51_A52	AAA	AA00	74	0.30	AA00
110	6vwv_B_A52_C53	AAA	AA08	85	0.23	AA08
111	6vwv_B_C53_C54	NAN	NANT	0	0.50	OP01
112	6vwv_B_C54_A55	AAA	AA00	93	0.13	AA00
113	6vwv_B_A55_A56	AAA	AA00	87	0.11	AA00
114	6vwv_B_A56_G57	AAA	AA00	84	0.13	AA00
115	6vwv_B_G57_A58	AAA	AA00	68	0.18	AA00
116	6vwv_B_A58_G59	AAA	AA00	79	0.18	AA00
117	6vwv_B_G59_C60	AAA	AA00	36	0.40	AA00
118	6vwv_B_C60_C61	AAA	AA00	69	0.20	AA00
119	6vwv_B_C61_U62	NAN	NANT	0	0.79	IC04
120	6vwv_B_U62_U63	OPN	OP22	47	0.39	OP22
121	6vwv_B_U63_A64	NAN	NANT	0	1.47	OP24
122	6vwv_B_A64_A65	NAN	NANT	0	0.59	AB03
123	6vwv_B_A65_A66	B-A	BA10	45	0.31	BA10
124	6vwv_B_A66_C67	NAN	NANT	0	0.92	AA11
125	6vwv_B_C67_U68	AAA	AA00	93	0.17	AA00
126	6vwv_B_U68_C69	AAA	AA00	93	0.14	AA00
127	6vwv_B_C69_U70	AAA	AA00	96	0.10	AA00
128	6vwv_B_U70_U71	AAA	AA00	88	0.12	AA00
129	6vwv_B_U71_G72	AAA	AA00	89	0.13	AA00
130	6vwv_B_G72_A73	NAN	NANT	0	0.70	AA10
131	6vwv_B_A73_U74	AAA	AA00	80	0.24	AA00
132	6vwv_B_U74_U75	AAA	AA00	86	0.19	AA00
133	6vwv_B_U75_A76	AAA	AA00	75	0.15	AA00
134	6vwv_B_A76_U77	AAA	AA00	85	0.14	AA00
135	6vwv_B_U77_C78	AAA	AA00	88	0.17	AA00
136	6vwv_B_C78_U79	AAA	AA00	87	0.14	AA00
137	6vwv_B_U79_U80	AAA	AA00	96	0.12	AA00
138	6vwv_B_U80_C81	AAA	AA00	94	0.10	AA00
139	6vwv_B_C81_C82	AAA	AA00	54	0.24	AA00
140	6vwv_B_C82_C83	AAu	AA12	60	0.29	AA12

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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