DNATCO v4.1: results

Crystal structure of the E. coli thiM riboswitch in complex with quinoxalin-6-ylmethanamine (compound 17)

Results of the assignment of 154 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	7tzs_X_GTP10_G11	AAA	AA00	57	0.27	AA00
002	7tzs_X_G11_A12	AAA	AA00	87	0.18	AA00
003	7tzs_X_A12_C13	AAA	AA00	74	0.11	AA00
004	7tzs_X_C13_U14	AAA	AA00	81	0.19	AA00
005	7tzs_X_U14_C15	AAA	AA04	77	0.22	AA04
006	7tzs_X_C15_G16	AAA	AA00	47	0.29	AA00
007	7tzs_X_G16_G17	AAA	AA00	66	0.22	AA00
008	7tzs_X_G17_G18	AAA	AA00	85	0.25	AA00
009	7tzs_X_G18_G19	AAA	AA00	40	0.33	AA00
010	7tzs_X_G19_U20	AAA	AA09	59	0.18	AA09
011	7tzs_X_U20_G21	NAN	NANT	0	1.58	OP24
012	7tzs_X_G21_C22	AAA	AA00	80	0.21	AA00
013	7tzs_X_C22_C23	A-B	AB05	86	0.26	AB05
014	7tzs_X_C23_C24	NAN	NANT	0	0.43	OP26
015	7tzs_X_C24_U25	NAN	NANT	0	0.80	AA04
016	7tzs_X_U25_U26	AAA	AA00	71	0.26	AA00
017	7tzs_X_U26_C27	AAw	AA01	61	0.30	AA01
018	7tzs_X_C27_U28	ZZZ	ZZ01	82	0.28	ZZ01
019	7tzs_X_U28_G29	NAN	NANT	0	0.62	OP25
020	7tzs_X_G29_C30	AAA	AA08	59	0.25	AA08
021	7tzs_X_C30_G31	AAA	AA00	73	0.27	AA00
022	7tzs_X_G31_U32	AAA	AA00	67	0.28	AA00
023	7tzs_X_U32_G33	AAA	AA08	84	0.24	AA08
024	7tzs_X_G33_A34	AAA	AA00	88	0.18	AA00
025	7tzs_X_A34_A35	AAA	AA00	84	0.15	AA00
026	7tzs_X_A35_G36	AAA	AA08	73	0.28	AA08
027	7tzs_X_G36_G37	AAA	AA00	72	0.17	AA00
028	7tzs_X_G37_C38	AAA	AA00	29	0.36	AA00
029	7tzs_X_C38_U39	AAA	AA00	83	0.13	AA00
030	7tzs_X_U39_G40	AAA	AA00	52	0.34	AA00
031	7tzs_X_G40_A41	OPN	OP04	85	0.17	OP04
032	7tzs_X_A41_G42	AAA	AA00	30	0.34	AA00
033	7tzs_X_G42_A43	ICL	IC04	86	0.21	IC04
034	7tzs_X_A43_A44	NAN	NANT	0	1.15	OP22
035	7tzs_X_A44_A45	NAN	NANT	0	1.32	OP19
036	7tzs_X_A45_U46	NAN	NANT	0	0.87	AB05
037	7tzs_X_U46_A47	NAN	NANT	0	0.74	OP15
038	7tzs_X_A47_C48	AAA	AA00	83	0.20	AA00
039	7tzs_X_C48_C49	AAA	AA00	88	0.14	AA00
040	7tzs_X_C49_C50	AAA	AA08	86	0.20	AA08
041	7tzs_X_C50_G51	AAA	AA00	68	0.25	AA00
042	7tzs_X_G51_U52	OPN	OP28	70	0.19	OP28
043	7tzs_X_U52_A53	NAN	NANT	0	0.80	ZZ2S
044	7tzs_X_A53_U54	NAN	NANT	0	0.81	OP29
045	7tzs_X_U54_C55	NAN	NANT	0	0.85	OP16
046	7tzs_X_C55_A56	NAN	NANT	0	0.68	OP29
047	7tzs_X_A56_C57	AAA	AA08	15	0.66	AA08
048	7tzs_X_C57_C58	AAA	AA00	94	0.18	AA00
049	7tzs_X_C58_U59	AAA	AA00	91	0.17	AA00
050	7tzs_X_U59_G60	AAA	AA08	40	0.33	AA08
051	7tzs_X_G60_A61	NAN	NANT	0	0.39	ZZ01
052	7tzs_X_A61_U62	OPN	OP18	49	0.62	OP18
053	7tzs_X_U62_C63	NAN	NANT	0	0.73	OP11
054	7tzs_X_C63_U64	AAA	AA00	58	0.27	AA00
055	7tzs_X_U64_G65	AAA	AA00	83	0.14	AA00
056	7tzs_X_G65_G66	AAA	AA00	68	0.20	AA00
057	7tzs_X_G66_A67	AAA	AA00	82	0.09	AA00
058	7tzs_X_A67_U68	AAA	AA00	81	0.26	AA00
059	7tzs_X_U68_A69	OPN	OP04	87	0.15	OP04
060	7tzs_X_A69_A70	AAA	AA00	79	0.28	AA00
061	7tzs_X_A70_U71	AAA	AA00	71	0.25	AA00
062	7tzs_X_U71_G72	NAN	NANT	0	1.02	OP29
063	7tzs_X_G72_C73	NAN	NANT	0	0.81	OP25
064	7tzs_X_C73_C74	AAA	AA00	81	0.19	AA00
065	7tzs_X_C74_A75	AAA	AA00	94	0.08	AA00
066	7tzs_X_A75_G76	AAA	AA00	91	0.23	AA00
067	7tzs_X_G76_C77	AAA	AA08	38	0.41	AA08
068	7tzs_X_C77_G78	ZZZ	ZZ01	92	0.18	ZZ01
069	7tzs_X_A80_G81	AAA	AA08	95	0.25	AA08
070	7tzs_X_G81_G82	AAA	AA00	83	0.22	AA00
071	7tzs_X_G82_G83	AAA	AA00	60	0.36	AA00
072	7tzs_X_G83_A84	AAu	AA07	50	0.31	AA07
073	7tzs_X_A84_A85	NAN	NANT	0	0.62	IC07
074	7tzs_X_A85_G86	B-A	BA16	89	0.14	BA16
075	7tzs_X_G86_U87	AAA	AA00	90	0.13	AA00
076	7tzs_X_U87_U88	AAA	AA08	78	0.25	AA08
077	7tzs_X_U88_CCC89	AAA	AA04	60	0.32	AA04
078	7tzs_Y_GTP10_G11	AAA	AA00	65	0.22	AA00
079	7tzs_Y_G11_A12	AAA	AA00	87	0.18	AA00
080	7tzs_Y_A12_C13	AAA	AA00	76	0.10	AA00
081	7tzs_Y_C13_U14	AAA	AA00	80	0.20	AA00
082	7tzs_Y_U14_C15	AAA	AA04	75	0.33	AA04
083	7tzs_Y_C15_G16	AAA	AA00	56	0.23	AA00
084	7tzs_Y_G16_G17	AAA	AA00	75	0.18	AA00
085	7tzs_Y_G17_G18	AAA	AA00	92	0.20	AA00
086	7tzs_Y_G18_G19	AAA	AA00	42	0.34	AA00
087	7tzs_Y_G19_U20	AAA	AA00	41	0.33	AA00
088	7tzs_Y_U20_G21	NAN	NANT	0	0.62	OP01
089	7tzs_Y_G21_C22	AAA	AA00	88	0.13	AA00
090	7tzs_Y_C22_C23	A-B	AB05	88	0.25	AB05
091	7tzs_Y_C23_C24	NAN	NANT	0	0.45	OP26
092	7tzs_Y_C24_U25	NAN	NANT	0	0.85	AA04
093	7tzs_Y_U25_U26	AAA	AA00	73	0.18	AA00
094	7tzs_Y_U26_C27	AAA	AA00	90	0.15	AA00
095	7tzs_Y_C27_U28	ZZZ	ZZ01	84	0.21	ZZ01
096	7tzs_Y_U28_G29	NAN	NANT	0	0.56	OP25
097	7tzs_Y_G29_C30	AAA	AA03	63	0.25	AA03
098	7tzs_Y_C30_G31	AAA	AA00	65	0.35	AA00
099	7tzs_Y_G31_U32	AAA	AA08	71	0.28	AA08
100	7tzs_Y_U32_G33	AAA	AA08	87	0.23	AA08
101	7tzs_Y_G33_A34	AAw	AA01	38	0.20	AA01
102	7tzs_Y_A34_A35	AAA	AA00	81	0.17	AA00
103	7tzs_Y_A35_G36	AAA	AA08	72	0.28	AA08
104	7tzs_Y_G36_G37	AAA	AA00	71	0.16	AA00
105	7tzs_Y_G37_C38	AAA	AA00	19	0.38	AA00
106	7tzs_Y_C38_U39	AAA	AA00	81	0.16	AA00
107	7tzs_Y_U39_G40	AAA	AA00	56	0.32	AA00
108	7tzs_Y_G40_A41	OPN	OP04	85	0.19	OP04
109	7tzs_Y_A41_G42	AAA	AA00	30	0.37	AA00
110	7tzs_Y_G42_A43	ICL	IC04	78	0.25	IC04
111	7tzs_Y_A43_A44	NAN	NANT	0	0.94	OP22
112	7tzs_Y_A44_A45	NAN	NANT	0	1.51	OP19
113	7tzs_Y_A47_C48	AAA	AA00	86	0.21	AA00
114	7tzs_Y_C48_C49	AAA	AA00	91	0.15	AA00
115	7tzs_Y_C49_C50	AAA	AA08	82	0.23	AA08
116	7tzs_Y_C50_G51	AAA	AA00	66	0.26	AA00
117	7tzs_Y_G51_U52	OPN	OP28	70	0.15	OP28
118	7tzs_Y_U52_A53	NAN	NANT	0	0.76	ZZ2S
119	7tzs_Y_A53_U54	NAN	NANT	0	0.88	OP29
120	7tzs_Y_U54_C55	NAN	NANT	0	1.11	OP16
121	7tzs_Y_C55_A56	NAN	NANT	0	0.81	OP29
122	7tzs_Y_A56_C57	AAA	AA08	19	0.64	AA08
123	7tzs_Y_C57_C58	AAA	AA00	94	0.18	AA00
124	7tzs_Y_C58_U59	AAA	AA00	88	0.18	AA00
125	7tzs_Y_U59_G60	AAA	AA08	49	0.34	AA08
126	7tzs_Y_G60_A61	NAN	NANT	0	0.43	ZZ01
127	7tzs_Y_A61_U62	OPN	OP18	45	0.68	OP18
128	7tzs_Y_U62_C63	NAN	NANT	0	0.76	OP11
129	7tzs_Y_C63_U64	AAA	AA00	84	0.17	AA00
130	7tzs_Y_U64_G65	AAA	AA00	84	0.13	AA00
131	7tzs_Y_G65_G66	AAA	AA00	68	0.20	AA00
132	7tzs_Y_G66_A67	AAA	AA00	75	0.20	AA00
133	7tzs_Y_A67_U68	AAA	AA00	81	0.20	AA00
134	7tzs_Y_U68_A69	OPN	OP04	84	0.14	OP04
135	7tzs_Y_A69_A70	AAA	AA00	82	0.25	AA00
136	7tzs_Y_A70_U71	AAA	AA00	66	0.28	AA00
137	7tzs_Y_U71_G72	NAN	NANT	0	0.99	OP29
138	7tzs_Y_G72_C73	NAN	NANT	0	0.83	OP25
139	7tzs_Y_C73_C74	AAA	AA00	89	0.16	AA00
140	7tzs_Y_C74_A75	AAA	AA00	93	0.12	AA00
141	7tzs_Y_A75_G76	AAA	AA00	88	0.24	AA00
142	7tzs_Y_G76_C77	AAA	AA08	43	0.42	AA08
143	7tzs_Y_C77_G78	ZZZ	ZZ01	89	0.20	ZZ01
144	7tzs_Y_G78_U79	NAN	NANT	0	0.37	OP21
145	7tzs_Y_U79_A80	NAN	NANT	0	2.17	OP16
146	7tzs_Y_A80_G81	AAA	AA08	94	0.16	AA08
147	7tzs_Y_G81_G82	AAw	AA01	70	0.15	AA01
148	7tzs_Y_G82_G83	AAA	AA00	40	0.47	AA00
149	7tzs_Y_G83_A84	AAu	AA07	50	0.30	AA07
150	7tzs_Y_A84_A85	NAN	NANT	0	1.42	IC01
151	7tzs_Y_A85_G86	B-A	BA16	83	0.22	BA16
152	7tzs_Y_G86_U87	AAA	AA00	91	0.12	AA00
153	7tzs_Y_U87_U88	AAA	AA08	83	0.20	AA08
154	7tzs_Y_U88_CCC89	AAA	AA00	28	0.26	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 154 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

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