DNATCO v4.1: results

NMR structure of a kissing complex formed between the TAR RNA element of HIV-1 and a LNA modified aptamer

Results of the assignment of 270 detected steps in 10 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	2pn9-m10_A_G1_G2	AAA	AA08	75	0.38	AA08
002	2pn9-m1_A_G1_G2	AAA	AA08	38	0.31	AA08
003	2pn9-m2_A_G1_G2	AAA	AA08	48	0.30	AA08
004	2pn9-m3_A_G1_G2	AAA	AA08	47	0.28	AA08
005	2pn9-m4_A_G1_G2	AAA	AA08	54	0.29	AA08
006	2pn9-m5_A_G1_G2	AAA	AA08	45	0.30	AA08
007	2pn9-m6_A_G1_G2	AAA	AA08	80	0.23	AA08
008	2pn9-m7_A_G1_G2	AAA	AA08	75	0.25	AA08
009	2pn9-m8_A_G1_G2	AAA	AA08	74	0.26	AA08
010	2pn9-m9_A_G1_G2	AAA	AA08	75	0.26	AA08
011	2pn9-m10_A_G2_A3	NAN	NANT	0	0.61	AA12
012	2pn9-m1_A_G2_A3	NAN	NANT	0	0.39	AA00
013	2pn9-m2_A_G2_A3	NAN	NANT	0	0.58	AA12
014	2pn9-m3_A_G2_A3	NAN	NANT	0	0.58	AA12
015	2pn9-m4_A_G2_A3	NAN	NANT	0	0.56	AA12
016	2pn9-m5_A_G2_A3	NAN	NANT	0	0.61	AA12
017	2pn9-m6_A_G2_A3	NAN	NANT	0	0.61	AA12
018	2pn9-m7_A_G2_A3	NAN	NANT	0	0.59	AA12
019	2pn9-m8_A_G2_A3	NAN	NANT	0	0.60	AA12
020	2pn9-m9_A_G2_A3	NAN	NANT	0	0.61	AA12
021	2pn9-m10_A_A3_G4	AAA	AA00	52	0.24	AA00
022	2pn9-m1_A_A3_G4	AAA	AA00	69	0.20	AA00
023	2pn9-m2_A_A3_G4	AAA	AA08	76	0.21	AA08
024	2pn9-m3_A_A3_G4	AAA	AA08	71	0.28	AA08
025	2pn9-m4_A_A3_G4	AAA	AA08	81	0.21	AA08
026	2pn9-m5_A_A3_G4	AAA	AA08	75	0.24	AA08
027	2pn9-m6_A_A3_G4	AAA	AA00	49	0.27	AA00
028	2pn9-m7_A_A3_G4	AAA	AA08	75	0.21	AA08
029	2pn9-m8_A_A3_G4	AAA	AA08	66	0.27	AA08
030	2pn9-m9_A_A3_G4	AAA	AA08	68	0.25	AA08
031	2pn9-m10_A_G4_C5	AAu	AA12	33	0.47	AA12
032	2pn9-m1_A_G4_C5	AAA	AA08	43	0.35	AA08
033	2pn9-m2_A_G4_C5	AAu	AA12	29	0.47	AA12
034	2pn9-m3_A_G4_C5	AAA	AA00	47	0.29	AA00
035	2pn9-m4_A_G4_C5	AAA	AA00	7	0.43	AA00
036	2pn9-m5_A_G4_C5	AAu	AA12	34	0.46	AA12
037	2pn9-m6_A_G4_C5	AAA	AA00	64	0.28	AA00
038	2pn9-m7_A_G4_C5	AAA	AA00	51	0.31	AA00
039	2pn9-m8_A_G4_C5	AAA	AA03	77	0.26	AA03
040	2pn9-m9_A_G4_C5	AAA	AA00	44	0.31	AA00
041	2pn9-m10_A_C5_C6	NAN	NANT	0	1.59	OP06
042	2pn9-m1_A_C5_C6	NAN	NANT	0	1.36	OP03
043	2pn9-m2_A_C5_C6	NAN	NANT	0	0.60	OP05
044	2pn9-m3_A_C5_C6	NAN	NANT	0	0.51	OP05
045	2pn9-m4_A_C5_C6	NAN	NANT	0	0.58	OP05
046	2pn9-m5_A_C5_C6	NAN	NANT	0	1.56	OP06
047	2pn9-m6_A_C5_C6	NAN	NANT	0	0.41	OP05
048	2pn9-m7_A_C5_C6	NAN	NANT	0	1.49	OP17
049	2pn9-m8_A_C5_C6	NAN	NANT	0	0.54	OP05
050	2pn9-m9_A_C5_C6	NAN	NANT	0	0.35	OP05
051	2pn9-m10_A_C6_U7	AAA	AA00	86	0.17	AA00
052	2pn9-m1_A_C6_U7	AAw	AA01	70	0.23	AA01
053	2pn9-m2_A_C6_U7	NAN	NANT	0	0.48	AA11
054	2pn9-m3_A_C6_U7	NAN	NANT	0	0.68	AA12
055	2pn9-m4_A_C6_U7	AAA	AA00	70	0.26	AA00
056	2pn9-m5_A_C6_U7	NAN	NANT	0	0.59	AA03
057	2pn9-m6_A_C6_U7	AAA	AA00	38	0.29	AA00
058	2pn9-m7_A_C6_U7	AAA	AA00	7	0.46	AA00
059	2pn9-m8_A_C6_U7	AAw	AA11	9	0.60	AA11
060	2pn9-m9_A_C6_U7	AAw	AA01	47	0.22	AA01
061	2pn9-m10_A_U7_G8	AAu	AA12	22	0.50	AA12
062	2pn9-m1_A_U7_G8	AAA	AA00	9	0.45	AA00
063	2pn9-m2_A_U7_G8	NAN	NANT	0	0.67	AA12
064	2pn9-m3_A_U7_G8	AAu	AA12	33	0.40	AA12
065	2pn9-m4_A_U7_G8	AAu	AA12	35	0.56	AA12
066	2pn9-m5_A_U7_G8	AAA	AA00	13	0.34	AA00
067	2pn9-m6_A_U7_G8	AAw	AA10	27	0.56	AA10
068	2pn9-m7_A_U7_G8	NAN	NANT	0	0.69	AA10
069	2pn9-m8_A_U7_G8	NAN	NANT	0	0.54	AA03
070	2pn9-m9_A_U7_G8	AAu	AA12	25	0.64	AA12
071	2pn9-m10_A_G8_G9	AAA	AA08	58	0.24	AA08
072	2pn9-m1_A_G8_G9	NAN	NANT	0	0.71	AA04
073	2pn9-m2_A_G8_G9	AAA	AA00	44	0.33	AA00
074	2pn9-m3_A_G8_G9	AAA	AA00	56	0.29	AA00
075	2pn9-m4_A_G8_G9	AAw	AA01	42	0.48	AA01
076	2pn9-m5_A_G8_G9	AAu	AA12	28	0.39	AA12
077	2pn9-m6_A_G8_G9	NAN	NANT	0	0.60	AB04
078	2pn9-m7_A_G8_G9	AAA	AA00	23	0.37	AA00
079	2pn9-m8_A_G8_G9	AAA	AA00	46	0.28	AA00
080	2pn9-m9_A_G8_G9	AAA	AA00	22	0.33	AA00
081	2pn9-m10_A_G9_G10	AAA	AA03	19	0.34	AA03
082	2pn9-m1_A_G9_G10	AAA	AA00	50	0.23	AA00
083	2pn9-m2_A_G9_G10	AAA	AA00	19	0.32	AA00
084	2pn9-m3_A_G9_G10	AAA	AA03	48	0.29	AA03
085	2pn9-m4_A_G9_G10	AAA	AA00	9	0.40	AA00
086	2pn9-m5_A_G9_G10	AAA	AA00	22	0.24	AA00
087	2pn9-m6_A_G9_G10	AAA	AA00	35	0.27	AA00
088	2pn9-m7_A_G9_G10	AAA	AA00	52	0.28	AA00
089	2pn9-m8_A_G9_G10	AAu	AA12	13	0.55	AA12
090	2pn9-m9_A_G9_G10	AAA	AA00	41	0.20	AA00
091	2pn9-m10_A_G10_A11	AAw	AA01	62	0.44	AA01
092	2pn9-m1_A_G10_A11	AAw	AA01	32	0.52	AA01
093	2pn9-m2_A_G10_A11	AAA	AA08	50	0.32	AA08
094	2pn9-m3_A_G10_A11	AAA	AA00	46	0.36	AA00
095	2pn9-m4_A_G10_A11	AAw	AA01	23	0.59	AA01
096	2pn9-m5_A_G10_A11	AAA	AA08	47	0.36	AA08
097	2pn9-m6_A_G10_A11	AAw	AA01	26	0.52	AA01
098	2pn9-m7_A_G10_A11	AAA	AA00	21	0.39	AA00
099	2pn9-m8_A_G10_A11	AAw	AA01	21	0.59	AA01
100	2pn9-m9_A_G10_A11	AAw	AA06	70	0.23	AA06
101	2pn9-m10_A_A11_G12	NAN	NANT	0	0.76	AA01
102	2pn9-m1_A_A11_G12	NAN	NANT	0	0.98	AB04
103	2pn9-m2_A_A11_G12	NAN	NANT	0	0.78	AA05
104	2pn9-m3_A_A11_G12	NAN	NANT	0	0.84	AA05
105	2pn9-m4_A_A11_G12	NAN	NANT	0	0.62	AA05
106	2pn9-m5_A_A11_G12	NAN	NANT	0	0.76	AA05
107	2pn9-m6_A_A11_G12	NAN	NANT	0	0.96	AB04
108	2pn9-m7_A_A11_G12	NAN	NANT	0	0.70	AA01
109	2pn9-m8_A_A11_G12	NAN	NANT	0	1.01	AB04
110	2pn9-m9_A_A11_G12	NAN	NANT	0	0.96	AB04
111	2pn9-m10_A_G12_C13	AAA	AA00	32	0.42	AA00
112	2pn9-m1_A_G12_C13	AAA	AA08	83	0.21	AA08
113	2pn9-m2_A_G12_C13	AAA	AA00	24	0.42	AA00
114	2pn9-m3_A_G12_C13	AAA	AA00	11	0.50	AA00
115	2pn9-m4_A_G12_C13	AAA	AA00	17	0.44	AA00
116	2pn9-m5_A_G12_C13	AAA	AA00	10	0.47	AA00
117	2pn9-m6_A_G12_C13	AAA	AA08	72	0.30	AA08
118	2pn9-m7_A_G12_C13	AAA	AA08	59	0.30	AA08
119	2pn9-m8_A_G12_C13	AAA	AA08	72	0.31	AA08
120	2pn9-m9_A_G12_C13	AAA	AA08	74	0.28	AA08
121	2pn9-m10_A_C13_U14	AAA	AA00	25	0.27	AA00
122	2pn9-m1_A_C13_U14	AAA	AA08	46	0.34	AA08
123	2pn9-m2_A_C13_U14	AAA	AA04	79	0.24	AA04
124	2pn9-m3_A_C13_U14	AAA	AA04	82	0.21	AA04
125	2pn9-m4_A_C13_U14	AAA	AA08	47	0.35	AA08
126	2pn9-m5_A_C13_U14	AAA	AA08	59	0.34	AA08
127	2pn9-m6_A_C13_U14	AAA	AA08	63	0.33	AA08
128	2pn9-m7_A_C13_U14	AAA	AA08	43	0.34	AA08
129	2pn9-m8_A_C13_U14	AAA	AA08	73	0.31	AA08
130	2pn9-m9_A_C13_U14	AAA	AA08	64	0.33	AA08
131	2pn9-m10_A_U14_C15	NAN	NANT	0	0.39	AA04
132	2pn9-m1_A_U14_C15	AAA	AA00	12	0.33	AA00
133	2pn9-m2_A_U14_C15	NAN	NANT	0	0.45	AA04
134	2pn9-m3_A_U14_C15	NAN	NANT	0	0.45	AA04
135	2pn9-m4_A_U14_C15	NAN	NANT	0	0.45	AA04
136	2pn9-m5_A_U14_C15	NAN	NANT	0	0.45	AA04
137	2pn9-m6_A_U14_C15	NAN	NANT	0	0.46	AA04
138	2pn9-m7_A_U14_C15	NAN	NANT	0	0.46	AA04
139	2pn9-m8_A_U14_C15	AAA	AA00	11	0.32	AA00
140	2pn9-m9_A_U14_C15	NAN	NANT	0	0.45	AA04
141	2pn9-m10_A_C15_C16	AAA	AA08	68	0.31	AA08
142	2pn9-m1_A_C15_C16	AAA	AA08	86	0.26	AA08
143	2pn9-m2_A_C15_C16	AAA	AA08	79	0.28	AA08
144	2pn9-m3_A_C15_C16	AAA	AA08	85	0.24	AA08
145	2pn9-m4_A_C15_C16	AAA	AA08	81	0.30	AA08
146	2pn9-m5_A_C15_C16	AAA	AA08	80	0.33	AA08
147	2pn9-m6_A_C15_C16	AAA	AA00	77	0.15	AA00
148	2pn9-m7_A_C15_C16	AAA	AA08	85	0.21	AA08
149	2pn9-m8_A_C15_C16	AAA	AA08	84	0.25	AA08
150	2pn9-m9_A_C15_C16	AAA	AA08	74	0.23	AA08
151	2pn9-m10_B_C17_A18	AAA	AA00	88	0.23	AA00
152	2pn9-m1_B_C17_A18	AAA	AA00	76	0.18	AA00
153	2pn9-m2_B_C17_A18	AAA	AA00	57	0.25	AA00
154	2pn9-m3_B_C17_A18	AAA	AA00	68	0.20	AA00
155	2pn9-m4_B_C17_A18	AAA	AA04	86	0.20	AA04
156	2pn9-m5_B_C17_A18	AAA	AA00	56	0.22	AA00
157	2pn9-m6_B_C17_A18	AAA	AA03	74	0.22	AA03
158	2pn9-m7_B_C17_A18	NAN	NANT	0	0.58	AA12
159	2pn9-m8_B_C17_A18	AAA	AA00	19	0.32	AA00
160	2pn9-m9_B_C17_A18	AAA	AA00	86	0.20	AA00
161	2pn9-m10_B_A18_C19	AAA	AA00	34	0.38	AA00
162	2pn9-m1_B_A18_C19	AAA	AA00	45	0.29	AA00
163	2pn9-m2_B_A18_C19	AAA	AA08	86	0.24	AA08
164	2pn9-m3_B_A18_C19	AAA	AA08	63	0.29	AA08
165	2pn9-m4_B_A18_C19	AAA	AA00	82	0.21	AA00
166	2pn9-m5_B_A18_C19	AAA	AA08	94	0.24	AA08
167	2pn9-m6_B_A18_C19	AAA	AA08	86	0.24	AA08
168	2pn9-m7_B_A18_C19	AAA	AA08	77	0.25	AA08
169	2pn9-m8_B_A18_C19	AAA	AA08	88	0.23	AA08
170	2pn9-m9_B_A18_C19	AAA	AA04	89	0.16	AA04
171	2pn9-m10_B_C19_G20	AAA	AA04	79	0.27	AA04
172	2pn9-m1_B_C19_G20	AAA	AA00	22	0.28	AA00
173	2pn9-m2_B_C19_G20	AAu	AA12	19	0.53	AA12
174	2pn9-m3_B_C19_G20	AAu	AA12	29	0.50	AA12
175	2pn9-m4_B_C19_G20	AAu	AA12	32	0.51	AA12
176	2pn9-m5_B_C19_G20	AAA	AA04	28	0.48	AA04
177	2pn9-m6_B_C19_G20	AAu	AA12	16	0.52	AA12
178	2pn9-m7_B_C19_G20	AAu	AA12	19	0.60	AA12
179	2pn9-m8_B_C19_G20	NAN	NANT	0	0.56	AA12
180	2pn9-m9_B_C19_G20	AAu	AA12	25	0.50	AA12
181	2pn9-m10_B_G20_G21	NAN	NANT	0	0.86	BA09
182	2pn9-m1_B_G20_G21	NAN	NANT	0	0.71	AA06
183	2pn9-m2_B_G20_G21	NAN	NANT	0	0.72	AA06
184	2pn9-m3_B_G20_G21	NAN	NANT	0	0.75	AA10
185	2pn9-m4_B_G20_G21	NAN	NANT	0	0.65	AA10
186	2pn9-m5_B_G20_G21	NAN	NANT	0	0.80	AA06
187	2pn9-m6_B_G20_G21	NAN	NANT	0	0.65	AA06
188	2pn9-m7_B_G20_G21	NAN	NANT	0	0.74	AA11
189	2pn9-m8_B_G20_G21	NAN	NANT	0	0.59	AA10
190	2pn9-m9_B_G20_G21	NAN	NANT	0	0.67	AA06
191	2pn9-m10_B_G21_U22	NAN	NANT	0	0.98	OP05
192	2pn9-m1_B_G21_U22	NAN	NANT	0	1.44	OP31
193	2pn9-m2_B_G21_U22	NAN	NANT	0	2.09	IC07
194	2pn9-m3_B_G21_U22	NAN	NANT	0	2.05	IC07
195	2pn9-m4_B_G21_U22	NAN	NANT	0	2.25	OP27
196	2pn9-m5_B_G21_U22	NAN	NANT	0	0.94	OP05
197	2pn9-m6_B_G21_U22	NAN	NANT	0	1.50	OP17
198	2pn9-m7_B_G21_U22	NAN	NANT	0	0.98	OP05
199	2pn9-m8_B_G21_U22	NAN	NANT	0	1.42	OP17
200	2pn9-m9_B_G21_U22	NAN	NANT	0	1.44	OP31
201	2pn9-m10_B_U22_C23	AAA	AA00	34	0.40	AA00
202	2pn9-m1_B_U22_C23	AAA	AA04	15	0.53	AA04
203	2pn9-m2_B_U22_C23	AAA	AA00	46	0.22	AA00
204	2pn9-m3_B_U22_C23	AAA	AA03	49	0.26	AA03
205	2pn9-m4_B_U22_C23	AAA	AA08	20	0.47	AA08
206	2pn9-m5_B_U22_C23	AAA	AA00	39	0.20	AA00
207	2pn9-m6_B_U22_C23	NAN	NANT	0	0.64	AA03
208	2pn9-m7_B_U22_C23	NAN	NANT	0	0.42	AA04
209	2pn9-m8_B_U22_C23	AAA	AA08	45	0.47	AA08
210	2pn9-m9_B_U22_C23	NAN	NANT	0	0.51	AA03
211	2pn9-m10_B_C23_C24	AAA	AA00	57	0.20	AA00
212	2pn9-m1_B_C23_C24	AAA	AA08	65	0.30	AA08
213	2pn9-m2_B_C23_C24	AAA	AA03	52	0.20	AA03
214	2pn9-m3_B_C23_C24	AAA	AA03	66	0.18	AA03
215	2pn9-m4_B_C23_C24	AAA	AA00	10	0.39	AA00
216	2pn9-m5_B_C23_C24	AAA	AA03	38	0.31	AA03
217	2pn9-m6_B_C23_C24	AAA	AA00	74	0.18	AA00
218	2pn9-m7_B_C23_C24	AAA	AA00	38	0.26	AA00
219	2pn9-m8_B_C23_C24	AAA	AA00	50	0.26	AA00
220	2pn9-m9_B_C23_C24	AAA	AA00	12	0.34	AA00
221	2pn9-m10_B_G27_A28	AAw	AA01	49	0.42	AA01
222	2pn9-m1_B_G27_A28	AAA	AA04	85	0.31	AA04
223	2pn9-m2_B_G27_A28	AAA	AA00	53	0.30	AA00
224	2pn9-m3_B_G27_A28	AAA	AA08	82	0.22	AA08
225	2pn9-m4_B_G27_A28	AAw	AA06	31	0.52	AA06
226	2pn9-m5_B_G27_A28	AAA	AA00	60	0.25	AA00
227	2pn9-m6_B_G27_A28	NAN	NANT	0	0.62	AA10
228	2pn9-m7_B_G27_A28	NAN	NANT	0	0.64	AA00
229	2pn9-m8_B_G27_A28	NAN	NANT	0	0.67	AA10
230	2pn9-m9_B_G27_A28	NAN	NANT	0	0.96	AA01
231	2pn9-m10_B_A28_C29	NAN	NANT	0	0.69	AA00
232	2pn9-m1_B_A28_C29	NAN	NANT	0	0.56	AA01
233	2pn9-m2_B_A28_C29	NAN	NANT	0	0.50	AA01
234	2pn9-m3_B_A28_C29	NAN	NANT	0	0.73	AA11
235	2pn9-m4_B_A28_C29	NAN	NANT	0	0.77	AA06
236	2pn9-m5_B_A28_C29	NAN	NANT	0	0.79	AA05
237	2pn9-m6_B_A28_C29	NAN	NANT	0	0.85	AA11
238	2pn9-m7_B_A28_C29	NAN	NANT	0	0.61	AA06
239	2pn9-m8_B_A28_C29	NAN	NANT	0	0.88	AA11
240	2pn9-m9_B_A28_C29	NAN	NANT	0	0.74	AA05
241	2pn9-m10_B_C29_G30	AAA	AA08	42	0.42	AA08
242	2pn9-m1_B_C29_G30	AAA	AA08	30	0.49	AA08
243	2pn9-m2_B_C29_G30	AAA	AA03	61	0.27	AA03
244	2pn9-m3_B_C29_G30	AAA	AA00	31	0.33	AA00
245	2pn9-m4_B_C29_G30	AAA	AA08	28	0.45	AA08
246	2pn9-m5_B_C29_G30	AAA	AA00	23	0.33	AA00
247	2pn9-m6_B_C29_G30	AAA	AA08	50	0.28	AA08
248	2pn9-m7_B_C29_G30	AAA	AA08	24	0.42	AA08
249	2pn9-m8_B_C29_G30	AAA	AA00	22	0.33	AA00
250	2pn9-m9_B_C29_G30	AAA	AA08	59	0.27	AA08
251	2pn9-m10_B_G30_U31	AAA	AA00	85	0.22	AA00
252	2pn9-m1_B_G30_U31	AAA	AA00	69	0.27	AA00
253	2pn9-m2_B_G30_U31	AAA	AA08	32	0.29	AA08
254	2pn9-m3_B_G30_U31	AAA	AA08	26	0.29	AA08
255	2pn9-m4_B_G30_U31	AAA	AA00	63	0.27	AA00
256	2pn9-m5_B_G30_U31	AAA	AA08	75	0.26	AA08
257	2pn9-m6_B_G30_U31	AAA	AA08	26	0.29	AA08
258	2pn9-m7_B_G30_U31	AAA	AA08	86	0.21	AA08
259	2pn9-m8_B_G30_U31	AAA	AA08	26	0.30	AA08
260	2pn9-m9_B_G30_U31	AAA	AA00	81	0.21	AA00
261	2pn9-m10_B_U31_G32	AAA	AA00	71	0.23	AA00
262	2pn9-m1_B_U31_G32	AAA	AA00	69	0.22	AA00
263	2pn9-m2_B_U31_G32	AAA	AA00	61	0.23	AA00
264	2pn9-m3_B_U31_G32	AAA	AA00	68	0.21	AA00
265	2pn9-m4_B_U31_G32	AAA	AA00	71	0.19	AA00
266	2pn9-m5_B_U31_G32	AAA	AA00	61	0.22	AA00
267	2pn9-m6_B_U31_G32	AAA	AA00	68	0.22	AA00
268	2pn9-m7_B_U31_G32	AAA	AA00	31	0.29	AA00
269	2pn9-m8_B_U31_G32	AAA	AA00	29	0.29	AA00
270	2pn9-m9_B_U31_G32	AAA	AA00	64	0.28	AA00

Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.

	δ1	ε1	ζ1	α2	β2	γ2	δ2	χ1	χ2	μ	NN	CC
step_torsions
ntC_average
Δ torsions
torsion scores

Results of the assignment of 270 detected steps in 10 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

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Restraints

User-based restraints

Definitions

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