DNATCO v4.1: results

Saccharide-RNA recognition in the neomycin B / RNA aptamer complex

Results of the assignment of 198 detected steps in 9 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	1nem-m1_A_G4_G5	AAw	AA01	47	0.41	AA01
002	1nem-m2_A_G4_G5	AAw	AA01	53	0.37	AA01
003	1nem-m3_A_G4_G5	AAw	AA06	83	0.32	AA06
004	1nem-m4_A_G4_G5	NAN	NANT	0	0.46	AB05
005	1nem-m5_A_G4_G5	AAA	AA08	86	0.23	AA08
006	1nem-m6_A_G4_G5	A-B	AB05	30	0.44	AB05
007	1nem-m7_A_G4_G5	AAA	AA08	86	0.20	AA08
008	1nem-m8_A_G4_G5	AAw	AA01	49	0.41	AA01
009	1nem-m9_A_G4_G5	A-B	AB05	34	0.40	AB05
010	1nem-m1_A_G5_A6	AAw	AA01	76	0.26	AA01
011	1nem-m2_A_G5_A6	AAw	AA01	69	0.29	AA01
012	1nem-m3_A_G5_A6	AAA	AA00	73	0.27	AA00
013	1nem-m4_A_G5_A6	BBB	BB00	23	0.52	BB00
014	1nem-m5_A_G5_A6	AAA	AA00	75	0.20	AA00
015	1nem-m6_A_G5_A6	NAN	NANT	0	0.47	BB17
016	1nem-m7_A_G5_A6	AAw	AA06	34	0.65	AA06
017	1nem-m8_A_G5_A6	AAw	AA01	63	0.32	AA01
018	1nem-m9_A_G5_A6	BBw	BB16	66	0.65	BB16
019	1nem-m1_A_A6_C7	AAw	AA01	48	0.35	AA01
020	1nem-m2_A_A6_C7	AAw	AA01	57	0.27	AA01
021	1nem-m3_A_A6_C7	NAN	NANT	0	0.59	AA06
022	1nem-m4_A_A6_C7	B-A	BA08	74	0.28	BA08
023	1nem-m5_A_A6_C7	AAw	AA01	68	0.34	AA01
024	1nem-m6_A_A6_C7	B-A	BA13	70	0.33	BA13
025	1nem-m7_A_A6_C7	NAN	NANT	0	0.89	AA11
026	1nem-m8_A_A6_C7	AAw	AA01	48	0.34	AA01
027	1nem-m9_A_A6_C7	B-A	BA13	85	0.17	BA13
028	1nem-m1_A_C7_U8	AAA	AA00	43	0.38	AA00
029	1nem-m2_A_C7_U8	AAA	AA00	30	0.41	AA00
030	1nem-m3_A_C7_U8	AAA	AA00	77	0.23	AA00
031	1nem-m4_A_C7_U8	AAw	AA01	41	0.53	AA01
032	1nem-m5_A_C7_U8	AAA	AA08	39	0.33	AA08
033	1nem-m6_A_C7_U8	AAA	AA00	51	0.35	AA00
034	1nem-m7_A_C7_U8	AAA	AA00	74	0.31	AA00
035	1nem-m8_A_C7_U8	AAA	AA00	22	0.41	AA00
036	1nem-m9_A_C7_U8	AAA	AA00	44	0.36	AA00
037	1nem-m1_A_U8_G9	AAw	AA01	69	0.38	AA01
038	1nem-m2_A_U8_G9	AAw	AA01	38	0.53	AA01
039	1nem-m3_A_U8_G9	NAN	NANT	0	0.50	AA06
040	1nem-m4_A_U8_G9	AAA	AA00	46	0.20	AA00
041	1nem-m5_A_U8_G9	AAA	AA08	46	0.46	AA08
042	1nem-m6_A_U8_G9	AAw	AA01	67	0.42	AA01
043	1nem-m7_A_U8_G9	AAw	AA01	66	0.48	AA01
044	1nem-m8_A_U8_G9	AAw	AA01	68	0.42	AA01
045	1nem-m9_A_U8_G9	AAw	AA06	41	0.44	AA06
046	1nem-m1_A_G9_G10	AAA	AA08	68	0.17	AA08
047	1nem-m2_A_G9_G10	AAw	AA11	38	0.47	AA11
048	1nem-m3_A_G9_G10	AAA	AA08	12	0.45	AA08
049	1nem-m4_A_G9_G10	NAN	NANT	0	0.43	AA01
050	1nem-m5_A_G9_G10	AAw	AA06	51	0.49	AA06
051	1nem-m6_A_G9_G10	AAw	AA06	76	0.28	AA06
052	1nem-m7_A_G9_G10	AAA	AA00	64	0.21	AA00
053	1nem-m8_A_G9_G10	AAw	AA06	59	0.45	AA06
054	1nem-m9_A_G9_G10	AAw	AA06	58	0.50	AA06
055	1nem-m1_A_G10_G11	AAw	AA01	15	0.42	AA01
056	1nem-m2_A_G10_G11	NAN	NANT	0	0.68	AB04
057	1nem-m3_A_G10_G11	NAN	NANT	0	0.79	AA06
058	1nem-m4_A_G10_G11	AAw	AA01	14	0.41	AA01
059	1nem-m5_A_G10_G11	AAA	AA08	50	0.41	AA08
060	1nem-m6_A_G10_G11	NAN	NANT	0	0.54	AA06
061	1nem-m7_A_G10_G11	AAw	AA01	29	0.42	AA01
062	1nem-m8_A_G10_G11	A-B	AB05	11	0.72	AB05
063	1nem-m9_A_G10_G11	AAw	AA01	14	0.47	AA01
064	1nem-m1_A_G11_C12	AAA	AA08	55	0.33	AA08
065	1nem-m2_A_G11_C12	NAN	NANT	0	1.75	OP24
066	1nem-m3_A_G11_C12	NAN	NANT	0	0.65	AA06
067	1nem-m4_A_G11_C12	AAw	AA01	33	0.30	AA01
068	1nem-m5_A_G11_C12	AAw	AA01	64	0.29	AA01
069	1nem-m6_A_G11_C12	AAw	AA06	42	0.58	AA06
070	1nem-m7_A_G11_C12	AAA	AA08	53	0.37	AA08
071	1nem-m8_A_G11_C12	NAN	NANT	0	0.67	BA16
072	1nem-m9_A_G11_C12	AAw	AA01	34	0.32	AA01
073	1nem-m1_A_C12_G13	NAN	NANT	0	0.68	AA05
074	1nem-m2_A_C12_G13	AAw	AA05	61	0.46	AA05
075	1nem-m3_A_C12_G13	NAN	NANT	0	0.68	AA05
076	1nem-m4_A_C12_G13	NAN	NANT	0	0.67	AA05
077	1nem-m5_A_C12_G13	NAN	NANT	0	0.66	AA05
078	1nem-m6_A_C12_G13	AAw	AA05	22	0.67	AA05
079	1nem-m7_A_C12_G13	AAw	AA05	54	0.55	AA05
080	1nem-m8_A_C12_G13	AAA	AA08	61	0.40	AA08
081	1nem-m9_A_C12_G13	NAN	NANT	0	0.72	AA05
082	1nem-m1_A_G13_A14	OPN	OP03	65	0.18	OP03
083	1nem-m2_A_G13_A14	OPN	OP03	70	0.24	OP03
084	1nem-m3_A_G13_A14	OPN	OP03	60	0.23	OP03
085	1nem-m4_A_G13_A14	OPN	OP03	69	0.24	OP03
086	1nem-m5_A_G13_A14	OPN	OP03	47	0.22	OP03
087	1nem-m6_A_G13_A14	OPN	OP03	83	0.14	OP03
088	1nem-m7_A_G13_A14	OPN	OP03	74	0.24	OP03
089	1nem-m8_A_G13_A14	OPN	OP03	87	0.19	OP03
090	1nem-m9_A_G13_A14	OPN	OP03	57	0.15	OP03
091	1nem-m1_A_A14_G15	AAA	AA08	81	0.21	AA08
092	1nem-m2_A_A14_G15	AAA	AA00	81	0.20	AA00
093	1nem-m3_A_A14_G15	AAA	AA00	76	0.26	AA00
094	1nem-m4_A_A14_G15	AAA	AA00	73	0.27	AA00
095	1nem-m5_A_A14_G15	AAA	AA08	90	0.16	AA08
096	1nem-m6_A_A14_G15	AAA	AA08	82	0.22	AA08
097	1nem-m7_A_A14_G15	AAA	AA00	77	0.23	AA00
098	1nem-m8_A_A14_G15	AAA	AA08	85	0.19	AA08
099	1nem-m9_A_A14_G15	AAA	AA08	79	0.20	AA08
100	1nem-m1_A_G15_A16	NAN	NANT	0	1.76	OP31
101	1nem-m2_A_G15_A16	NAN	NANT	0	1.41	OP20
102	1nem-m3_A_G15_A16	NAN	NANT	0	1.75	IC03
103	1nem-m4_A_G15_A16	NAN	NANT	0	2.05	OP31
104	1nem-m5_A_G15_A16	NAN	NANT	0	1.55	OP31
105	1nem-m6_A_G15_A16	NAN	NANT	0	1.58	OP20
106	1nem-m7_A_G15_A16	NAN	NANT	0	1.58	OP20
107	1nem-m8_A_G15_A16	NAN	NANT	0	1.46	OP20
108	1nem-m9_A_G15_A16	NAN	NANT	0	1.43	OP30
109	1nem-m1_A_A16_A17	NAN	NANT	0	1.39	OP10
110	1nem-m2_A_A16_A17	NAN	NANT	0	0.51	OP27
111	1nem-m3_A_A16_A17	NAN	NANT	0	1.81	OP10
112	1nem-m4_A_A16_A17	NAN	NANT	0	1.30	OP14
113	1nem-m5_A_A16_A17	NAN	NANT	0	1.48	OP10
114	1nem-m6_A_A16_A17	NAN	NANT	0	0.59	OP27
115	1nem-m7_A_A16_A17	NAN	NANT	0	1.46	OP10
116	1nem-m8_A_A16_A17	NAN	NANT	0	0.48	OP27
117	1nem-m9_A_A16_A17	NAN	NANT	0	0.90	OP27
118	1nem-m1_A_A17_G18	AAw	AA05	58	0.56	AA05
119	1nem-m2_A_A17_G18	AAw	AA06	37	0.53	AA06
120	1nem-m3_A_A17_G18	AAw	AA05	25	0.48	AA05
121	1nem-m4_A_A17_G18	AAA	AA08	44	0.50	AA08
122	1nem-m5_A_A17_G18	AAw	AA06	69	0.47	AA06
123	1nem-m6_A_A17_G18	AAA	AA08	23	0.51	AA08
124	1nem-m7_A_A17_G18	AAw	AA05	67	0.46	AA05
125	1nem-m8_A_A17_G18	AAw	AA06	39	0.55	AA06
126	1nem-m9_A_A17_G18	NAN	NANT	0	0.56	AA05
127	1nem-m1_A_G18_U19	AAA	AA00	57	0.38	AA00
128	1nem-m2_A_G18_U19	AAw	AA01	16	0.45	AA01
129	1nem-m3_A_G18_U19	AAw	AA01	16	0.54	AA01
130	1nem-m4_A_G18_U19	AAw	AA01	60	0.32	AA01
131	1nem-m5_A_G18_U19	AAw	AA01	20	0.36	AA01
132	1nem-m6_A_G18_U19	AAA	AA00	69	0.22	AA00
133	1nem-m7_A_G18_U19	A-B	AB05	57	0.41	AB05
134	1nem-m8_A_G18_U19	AAA	AA08	60	0.27	AA08
135	1nem-m9_A_G18_U19	AAA	AA08	58	0.28	AA08
136	1nem-m1_A_U19_U20	AAw	AA01	67	0.42	AA01
137	1nem-m2_A_U19_U20	AAw	AA01	71	0.38	AA01
138	1nem-m3_A_U19_U20	AAw	AA01	51	0.40	AA01
139	1nem-m4_A_U19_U20	AAA	AA00	55	0.32	AA00
140	1nem-m5_A_U19_U20	AAw	AA01	42	0.41	AA01
141	1nem-m6_A_U19_U20	AAw	AA01	86	0.30	AA01
142	1nem-m7_A_U19_U20	BBB	BB00	45	0.47	BB00
143	1nem-m8_A_U19_U20	AAw	AA01	80	0.35	AA01
144	1nem-m9_A_U19_U20	AAA	AA00	91	0.17	AA00
145	1nem-m1_A_U20_U21	AAw	AA01	35	0.48	AA01
146	1nem-m2_A_U20_U21	AAw	AA01	33	0.48	AA01
147	1nem-m3_A_U20_U21	AAA	AA08	44	0.36	AA08
148	1nem-m4_A_U20_U21	AAw	AA01	58	0.22	AA01
149	1nem-m5_A_U20_U21	AAw	AA11	14	0.42	AA11
150	1nem-m6_A_U20_U21	AAw	AA01	49	0.37	AA01
151	1nem-m7_A_U20_U21	B-A	BA10	67	0.33	BA10
152	1nem-m8_A_U20_U21	AAA	AA00	36	0.36	AA00
153	1nem-m9_A_U20_U21	AAw	AA11	88	0.18	AA11
154	1nem-m1_A_U21_A22	NAN	NANT	0	1.47	OP24
155	1nem-m2_A_U21_A22	AAw	AA01	60	0.38	AA01
156	1nem-m3_A_U21_A22	AAw	AA01	41	0.52	AA01
157	1nem-m4_A_U21_A22	AAA	AA00	69	0.21	AA00
158	1nem-m5_A_U21_A22	A-B	AB05	43	0.23	AB05
159	1nem-m6_A_U21_A22	AAw	AA01	35	0.42	AA01
160	1nem-m7_A_U21_A22	AAw	AA01	44	0.48	AA01
161	1nem-m8_A_U21_A22	AAw	AA01	48	0.51	AA01
162	1nem-m9_A_U21_A22	NAN	NANT	0	0.74	AB02
163	1nem-m1_A_A22_G23	AAw	AA01	86	0.24	AA01
164	1nem-m2_A_A22_G23	AAw	AA01	66	0.29	AA01
165	1nem-m3_A_A22_G23	AAw	AA01	70	0.22	AA01
166	1nem-m4_A_A22_G23	AAw	AA01	88	0.25	AA01
167	1nem-m5_A_A22_G23	NAN	NANT	0	0.58	BA10
168	1nem-m6_A_A22_G23	AAw	AA01	49	0.35	AA01
169	1nem-m7_A_A22_G23	AAw	AA01	46	0.30	AA01
170	1nem-m8_A_A22_G23	AAw	AA01	56	0.28	AA01
171	1nem-m9_A_A22_G23	NAN	NANT	0	1.54	OP24
172	1nem-m1_A_G23_U24	AAw	AA01	53	0.30	AA01
173	1nem-m2_A_G23_U24	AAw	AA06	65	0.36	AA06
174	1nem-m3_A_G23_U24	AAw	AA01	36	0.33	AA01
175	1nem-m4_A_G23_U24	AAw	AA01	52	0.31	AA01
176	1nem-m5_A_G23_U24	AAw	AA01	66	0.23	AA01
177	1nem-m6_A_G23_U24	AAA	AA08	86	0.24	AA08
178	1nem-m7_A_G23_U24	AAw	AA06	41	0.34	AA06
179	1nem-m8_A_G23_U24	AAw	AA01	45	0.32	AA01
180	1nem-m9_A_G23_U24	AAw	AA01	78	0.22	AA01
181	1nem-m1_A_U24_C25	AAw	AA01	59	0.24	AA01
182	1nem-m2_A_U24_C25	AAw	AA01	50	0.23	AA01
183	1nem-m3_A_U24_C25	AAw	AA01	46	0.32	AA01
184	1nem-m4_A_U24_C25	AAw	AA01	43	0.26	AA01
185	1nem-m5_A_U24_C25	AAw	AA06	59	0.60	AA06
186	1nem-m6_A_U24_C25	AAw	AA01	27	0.30	AA01
187	1nem-m7_A_U24_C25	AAA	AA00	38	0.52	AA00
188	1nem-m8_A_U24_C25	NAN	NANT	0	0.47	AA10
189	1nem-m9_A_U24_C25	AAw	AA01	72	0.25	AA01
190	1nem-m1_A_C25_C26	AAA	AA08	31	0.48	AA08
191	1nem-m2_A_C25_C26	AAA	AA08	46	0.40	AA08
192	1nem-m3_A_C25_C26	AAA	AA00	44	0.27	AA00
193	1nem-m4_A_C25_C26	AAA	AA08	18	0.52	AA08
194	1nem-m5_A_C25_C26	NAN	NANT	0	0.81	AA06
195	1nem-m6_A_C25_C26	AAA	AA08	44	0.33	AA08
196	1nem-m7_A_C25_C26	AAw	AA01	55	0.46	AA01
197	1nem-m8_A_C25_C26	AAA	AA00	50	0.34	AA00
198	1nem-m9_A_C25_C26	NAN	NANT	0	0.53	AA11

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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A-B

B-A

B

IC

OPN

Z

N

Results of the assignment of 198 detected steps in 9 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

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Restraints

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Definitions

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