DNATCO v4.1: results

Crystal structure of Chili RNA aptamer in complex with DMHBO+ (Iridium III hexammine soaking crystal form)

Results of the assignment of 198 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	7oav_A_G2_C3	AAA	AA00	78	0.13	AA00
002	7oav_A_C3_U4	AAA	AA00	87	0.16	AA00
003	7oav_A_U4_A5	AAA	AA00	86	0.12	AA00
004	7oav_A_A5_G6	AAA	AA00	76	0.15	AA00
005	7oav_A_G6_C7	AAA	AA00	74	0.17	AA00
006	7oav_A_C7_U8	AAA	AA00	92	0.19	AA00
007	7oav_A_U8_G9	ICL	IC04	18	0.54	IC04
008	7oav_A_G9_G10	NAN	NANT	0	1.36	ZZ2S
009	7oav_A_G10_A11	NAN	NANT	0	0.88	IC07
010	7oav_A_A11_G12	AAA	AA08	86	0.25	AA08
011	7oav_A_G12_G13	ZZZ	ZZ01	76	0.17	ZZ01
012	7oav_A_G13_G14	NAN	NANT	0	1.23	OP24
013	7oav_A_G14_G15	NAN	NANT	0	0.88	OP10
014	7oav_A_G15_C16	AAA	AA00	84	0.16	AA00
015	7oav_A_C16_G17	AAA	AA00	22	0.45	AA00
016	7oav_A_G17_C18	AAA	AA00	95	0.13	AA00
017	7oav_A_C18_C19	AAA	AA08	91	0.18	AA08
018	7oav_A_C19_A20	AAA	AA00	86	0.17	AA00
019	7oav_A_A20_G21	AAA	AA08	83	0.19	AA08
020	7oav_A_G21_U22	AAA	AA04	81	0.29	AA04
021	7oav_A_U22_U23	OPN	OP09	63	0.17	OP09
022	7oav_A_U23_C24	OPN	OP20	56	0.43	OP20
023	7oav_A_C24_G25	NAN	NANT	0	0.72	ZZ2S
024	7oav_A_G25_C26	NAN	NANT	0	0.83	AAS1
025	7oav_A_C26_U27	AAA	AA00	93	0.12	AA00
026	7oav_A_U27_G28	AAA	AA00	83	0.11	AA00
027	7oav_A_G28_G29	AAA	AA00	84	0.13	AA00
028	7oav_A_G29_U30	AAA	AA08	84	0.20	AA08
029	7oav_A_U30_G31	ZZZ	ZZ01	95	0.13	ZZ01
030	7oav_A_G31_G32	NAN	NANT	0	1.27	OP19
031	7oav_A_G32_U33	NAN	NANT	0	0.92	OP27
032	7oav_A_U33_U34	NAN	NANT	0	0.87	AA04
033	7oav_A_G36_G37	ZZZ	ZZ01	47	0.37	ZZ01
034	7oav_A_G37_U38	NAN	NANT	0	0.89	OP18
035	7oav_A_U38_G39	NAN	NANT	0	0.98	OP21
036	7oav_A_G39_C40	AAA	AA03	72	0.20	AA03
037	7oav_A_C40_G41	AAA	AA00	86	0.23	AA00
038	7oav_A_G41_G42	ZZZ	ZZ01	71	0.17	ZZ01
039	7oav_A_G42_U43	OPN	OP18	81	0.23	OP18
040	7oav_A_U43_C44	OPN	OP13	59	0.44	OP13
041	7oav_A_C44_G45	AAA	AA00	81	0.14	AA00
042	7oav_A_G45_G46	AAA	AA00	71	0.15	AA00
043	7oav_A_G46_C47	AAA	AA00	90	0.12	AA00
044	7oav_A_C47_U48	AAA	AA03	74	0.12	AA03
045	7oav_A_U48_A49	AAA	AA00	91	0.14	AA00
046	7oav_A_A49_G50	AAA	AA00	75	0.16	AA00
047	7oav_A_G50_C51	AAA	AA00	92	0.11	AA00
048	7oav_A_C51_C52	AAA	AA04	85	0.31	AA04
049	7oav_B_G2_C3	AAA	AA00	77	0.14	AA00
050	7oav_B_C3_U4	AAA	AA00	89	0.15	AA00
051	7oav_B_U4_A5	AAA	AA00	86	0.12	AA00
052	7oav_B_A5_G6	AAA	AA00	77	0.16	AA00
053	7oav_B_G6_C7	AAA	AA00	75	0.15	AA00
054	7oav_B_C7_U8	AAA	AA00	93	0.17	AA00
055	7oav_B_U8_G9	ICL	IC04	13	0.56	IC04
056	7oav_B_G9_G10	NAN	NANT	0	1.34	ZZ2S
057	7oav_B_G10_A11	NAN	NANT	0	0.86	IC07
058	7oav_B_A11_G12	AAA	AA08	88	0.24	AA08
059	7oav_B_G12_G13	ZZZ	ZZ01	76	0.17	ZZ01
060	7oav_B_G13_G14	NAN	NANT	0	1.23	OP24
061	7oav_B_G14_G15	NAN	NANT	0	1.41	OP16
062	7oav_B_G15_C16	AAA	AA00	84	0.16	AA00
063	7oav_B_C16_G17	AAA	AA00	15	0.48	AA00
064	7oav_B_G17_C18	AAA	AA00	95	0.13	AA00
065	7oav_B_C18_C19	AAA	AA08	90	0.15	AA08
066	7oav_B_C19_A20	AAA	AA00	87	0.15	AA00
067	7oav_B_A20_G21	AAA	AA08	82	0.20	AA08
068	7oav_B_G21_U22	AAA	AA04	82	0.27	AA04
069	7oav_B_U22_U23	OPN	OP09	63	0.15	OP09
070	7oav_B_U23_C24	OPN	OP20	55	0.44	OP20
071	7oav_B_C24_G25	NAN	NANT	0	0.77	ZZ2S
072	7oav_B_G25_C26	NAN	NANT	0	0.81	AAS1
073	7oav_B_C26_U27	AAA	AA00	93	0.09	AA00
074	7oav_B_U27_G28	AAA	AA00	80	0.13	AA00
075	7oav_B_G28_G29	AAA	AA00	81	0.14	AA00
076	7oav_B_G29_U30	AAA	AA08	83	0.20	AA08
077	7oav_B_U30_G31	ZZZ	ZZ01	95	0.10	ZZ01
078	7oav_B_G31_G32	NAN	NANT	0	1.26	OP19
079	7oav_B_G32_U33	NAN	NANT	0	1.08	OP27
080	7oav_B_U33_U34	NAN	NANT	0	0.44	AA04
081	7oav_B_U34_G35	NAN	NANT	0	1.30	OP04
082	7oav_B_G35_G36	NAN	NANT	0	1.15	OP13
083	7oav_B_G36_G37	ZZZ	ZZ01	51	0.35	ZZ01
084	7oav_B_G37_U38	NAN	NANT	0	1.18	OP18
085	7oav_B_U38_G39	NAN	NANT	0	0.84	OP18
086	7oav_B_G39_C40	AAA	AA03	70	0.22	AA03
087	7oav_B_C40_G41	AAA	AA00	89	0.24	AA00
088	7oav_B_G41_G42	ZZZ	ZZ01	76	0.17	ZZ01
089	7oav_B_G42_U43	OPN	OP18	84	0.18	OP18
090	7oav_B_U43_C44	OPN	OP13	60	0.48	OP13
091	7oav_B_C44_G45	AAA	AA00	84	0.12	AA00
092	7oav_B_G45_G46	AAA	AA08	78	0.21	AA08
093	7oav_B_G46_C47	AAA	AA00	89	0.12	AA00
094	7oav_B_C47_U48	AAA	AA03	73	0.17	AA03
095	7oav_B_U48_A49	AAA	AA00	90	0.16	AA00
096	7oav_B_A49_G50	AAA	AA00	79	0.14	AA00
097	7oav_B_G50_C51	AAA	AA00	91	0.12	AA00
098	7oav_B_C51_C52	AAA	AA04	90	0.26	AA04
099	7oav_C_G2_C3	AAA	AA00	75	0.14	AA00
100	7oav_C_C3_U4	AAA	AA00	85	0.17	AA00
101	7oav_C_U4_A5	AAA	AA00	88	0.09	AA00
102	7oav_C_A5_G6	AAA	AA00	79	0.12	AA00
103	7oav_C_G6_C7	AAA	AA00	80	0.10	AA00
104	7oav_C_C7_U8	AAA	AA00	92	0.19	AA00
105	7oav_C_U8_G9	ICL	IC04	8	0.60	IC04
106	7oav_C_G9_G10	NAN	NANT	0	1.36	ZZ2S
107	7oav_C_G10_A11	NAN	NANT	0	0.88	IC07
108	7oav_C_A11_G12	AAA	AA08	88	0.23	AA08
109	7oav_C_G12_G13	ZZZ	ZZ01	65	0.19	ZZ01
110	7oav_C_G13_G14	NAN	NANT	0	1.24	OP24
111	7oav_C_G14_G15	NAN	NANT	0	0.89	OP10
112	7oav_C_G15_C16	AAA	AA00	84	0.17	AA00
113	7oav_C_C16_G17	AAA	AA00	15	0.48	AA00
114	7oav_C_G17_C18	AAA	AA00	90	0.16	AA00
115	7oav_C_C18_C19	AAA	AA08	93	0.15	AA08
116	7oav_C_C19_A20	AAA	AA00	85	0.17	AA00
117	7oav_C_A20_G21	AAA	AA08	82	0.20	AA08
118	7oav_C_G21_U22	AAA	AA04	82	0.29	AA04
119	7oav_C_U22_U23	OPN	OP09	63	0.14	OP09
120	7oav_C_U23_C24	OPN	OP20	55	0.41	OP20
121	7oav_C_C24_G25	NAN	NANT	0	0.74	ZZ2S
122	7oav_C_G25_C26	NAN	NANT	0	0.83	AAS1
123	7oav_C_C26_U27	AAA	AA00	95	0.09	AA00
124	7oav_C_U27_G28	AAA	AA00	81	0.12	AA00
125	7oav_C_G28_G29	AAA	AA00	83	0.13	AA00
126	7oav_C_G29_U30	AAA	AA08	83	0.20	AA08
127	7oav_C_U30_G31	ZZZ	ZZ01	91	0.15	ZZ01
128	7oav_C_G31_G32	NAN	NANT	0	1.24	OP19
129	7oav_C_G32_U33	NAN	NANT	0	1.24	OP25
130	7oav_C_U33_U34	NAN	NANT	0	1.42	AB04
131	7oav_C_U34_G35	NAN	NANT	0	1.90	OP1S
132	7oav_C_G35_G36	NAN	NANT	0	2.15	OPS1
133	7oav_C_G36_G37	ZZZ	ZZ01	29	0.44	ZZ01
134	7oav_C_G37_U38	NAN	NANT	0	0.93	OP18
135	7oav_C_U38_G39	NAN	NANT	0	0.94	OP21
136	7oav_C_G39_C40	AAA	AA03	69	0.18	AA03
137	7oav_C_C40_G41	AAA	AA00	90	0.23	AA00
138	7oav_C_G41_G42	ZZZ	ZZ01	71	0.18	ZZ01
139	7oav_C_G42_U43	OPN	OP18	80	0.27	OP18
140	7oav_C_U43_C44	OPN	OP13	56	0.46	OP13
141	7oav_C_C44_G45	AAA	AA00	82	0.13	AA00
142	7oav_C_G45_G46	AAA	AA00	70	0.14	AA00
143	7oav_C_G46_C47	AAA	AA00	90	0.10	AA00
144	7oav_C_C47_U48	AAA	AA03	74	0.10	AA03
145	7oav_C_U48_A49	AAA	AA00	90	0.13	AA00
146	7oav_C_A49_G50	AAA	AA00	75	0.17	AA00
147	7oav_C_G50_C51	AAA	AA00	91	0.12	AA00
148	7oav_C_C51_C52	AAA	AA04	89	0.27	AA04
149	7oav_D_G2_C3	AAA	AA00	77	0.12	AA00
150	7oav_D_C3_U4	AAA	AA00	82	0.19	AA00
151	7oav_D_U4_A5	AAA	AA00	87	0.12	AA00
152	7oav_D_A5_G6	AAA	AA00	78	0.12	AA00
153	7oav_D_G6_C7	AAA	AA00	79	0.11	AA00
154	7oav_D_C7_U8	AAA	AA00	95	0.14	AA00
155	7oav_D_U8_G9	ICL	IC04	10	0.60	IC04
156	7oav_D_G9_G10	NAN	NANT	0	1.34	ZZ2S
157	7oav_D_G10_A11	NAN	NANT	0	0.87	IC07
158	7oav_D_A11_G12	AAA	AA08	88	0.23	AA08
159	7oav_D_G12_G13	ZZZ	ZZ01	73	0.17	ZZ01
160	7oav_D_G13_G14	NAN	NANT	0	1.25	OP24
161	7oav_D_G14_G15	NAN	NANT	0	0.91	OP10
162	7oav_D_G15_C16	AAA	AA00	85	0.16	AA00
163	7oav_D_C16_G17	AAA	AA00	19	0.47	AA00
164	7oav_D_G17_C18	AAA	AA00	95	0.12	AA00
165	7oav_D_C18_C19	AAA	AA08	94	0.12	AA08
166	7oav_D_C19_A20	AAA	AA00	84	0.16	AA00
167	7oav_D_A20_G21	AAA	AA08	83	0.18	AA08
168	7oav_D_G21_U22	AAA	AA04	81	0.27	AA04
169	7oav_D_U22_U23	OPN	OP09	61	0.17	OP09
170	7oav_D_U23_C24	OPN	OP20	54	0.44	OP20
171	7oav_D_C24_G25	NAN	NANT	0	0.73	ZZ2S
172	7oav_D_G25_C26	NAN	NANT	0	0.82	AAS1
173	7oav_D_C26_U27	AAA	AA00	94	0.08	AA00
174	7oav_D_U27_G28	AAA	AA00	83	0.09	AA00
175	7oav_D_G28_G29	AAA	AA00	86	0.09	AA00
176	7oav_D_G29_U30	AAA	AA08	84	0.18	AA08
177	7oav_D_U30_G31	ZZZ	ZZ01	92	0.16	ZZ01
178	7oav_D_G31_G32	NAN	NANT	0	1.26	OP19
179	7oav_D_G32_U33	NAN	NANT	0	0.97	OP27
180	7oav_D_U33_U34	NAN	NANT	0	0.42	AA04
181	7oav_D_U34_G35	NAN	NANT	0	0.96	IC07
182	7oav_D_G35_G36	NAN	NANT	0	1.17	OP17
183	7oav_D_G36_G37	ZZZ	ZZ01	33	0.40	ZZ01
184	7oav_D_G37_U38	NAN	NANT	0	0.88	OP18
185	7oav_D_U38_G39	NAN	NANT	0	0.89	OP21
186	7oav_D_G39_C40	AAA	AA03	72	0.20	AA03
187	7oav_D_C40_G41	AAA	AA00	88	0.23	AA00
188	7oav_D_G41_G42	ZZZ	ZZ01	71	0.18	ZZ01
189	7oav_D_G42_U43	OPN	OP18	84	0.19	OP18
190	7oav_D_U43_C44	OPN	OP13	60	0.49	OP13
191	7oav_D_C44_G45	AAA	AA00	83	0.11	AA00
192	7oav_D_G45_G46	AAA	AA00	69	0.17	AA00
193	7oav_D_G46_C47	AAA	AA00	90	0.09	AA00
194	7oav_D_C47_U48	AAA	AA03	73	0.09	AA03
195	7oav_D_U48_A49	AAA	AA00	90	0.15	AA00
196	7oav_D_A49_G50	AAA	AA00	81	0.12	AA00
197	7oav_D_G50_C51	AAA	AA00	93	0.10	AA00
198	7oav_D_C51_C52	AAA	AA04	90	0.25	AA04

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 198 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

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