DNATCO v4.1: results

A 2:1 stoichiometric complex of anticancer drug 4'-Epiadriamycin bound to parallel G-quadruplex DNA [d-(TTGGGGT)]4.

Results of the assignment of 240 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	7cps-m10_A_DT1_DT2	NAN	NANT	0	0.73	ZZ02
002	7cps-m1_A_DT1_DT2	NAN	NANT	0	0.75	ZZ02
003	7cps-m2_A_DT1_DT2	NAN	NANT	0	0.73	ZZ02
004	7cps-m3_A_DT1_DT2	NAN	NANT	0	0.80	ZZ02
005	7cps-m4_A_DT1_DT2	NAN	NANT	0	0.61	ZZ02
006	7cps-m5_A_DT1_DT2	NAN	NANT	0	0.77	ZZ02
007	7cps-m6_A_DT1_DT2	NAN	NANT	0	0.76	OP22
008	7cps-m7_A_DT1_DT2	NAN	NANT	0	0.64	ZZ02
009	7cps-m8_A_DT1_DT2	NAN	NANT	0	0.78	ZZ02
010	7cps-m9_A_DT1_DT2	NAN	NANT	0	0.61	ZZ02
011	7cps-m10_A_DT2_DG3	AAA	AA02	63	0.31	AA02
012	7cps-m1_A_DT2_DG3	NAN	NANT	0	0.57	BA05
013	7cps-m2_A_DT2_DG3	NAN	NANT	0	0.57	BA05
014	7cps-m3_A_DT2_DG3	NAN	NANT	0	0.51	BA05
015	7cps-m4_A_DT2_DG3	AAA	AA02	57	0.40	AA02
016	7cps-m5_A_DT2_DG3	NAN	NANT	0	0.50	BB01
017	7cps-m6_A_DT2_DG3	NAN	NANT	0	0.50	BA05
018	7cps-m7_A_DT2_DG3	AAA	AA02	25	0.49	AA02
019	7cps-m8_A_DT2_DG3	NAN	NANT	0	0.59	BA05
020	7cps-m9_A_DT2_DG3	NAN	NANT	0	0.59	BA05
021	7cps-m10_A_DG3_DG4	A-B	AB01	44	0.27	AB01
022	7cps-m1_A_DG3_DG4	A-B	AB01	76	0.27	AB01
023	7cps-m2_A_DG3_DG4	A-B	AB01	53	0.30	AB01
024	7cps-m3_A_DG3_DG4	A-B	AB01	57	0.34	AB01
025	7cps-m4_A_DG3_DG4	A-B	AB01	64	0.34	AB01
026	7cps-m5_A_DG3_DG4	BBB	BB01	10	0.40	BB01
027	7cps-m6_A_DG3_DG4	A-B	AB01	73	0.33	AB01
028	7cps-m7_A_DG3_DG4	AAA	AA02	71	0.32	AA02
029	7cps-m8_A_DG3_DG4	A-B	AB01	71	0.31	AB01
030	7cps-m9_A_DG3_DG4	A-B	AB01	85	0.25	AB01
031	7cps-m10_A_DG4_DG5	BB2	BB07	18	0.23	BB07
032	7cps-m1_A_DG4_DG5	BBB	BB00	54	0.39	BB00
033	7cps-m2_A_DG4_DG5	BB2	BB07	59	0.36	BB07
034	7cps-m3_A_DG4_DG5	BB2	BB07	32	0.48	BB07
035	7cps-m4_A_DG4_DG5	BBB	BB00	69	0.29	BB00
036	7cps-m5_A_DG4_DG5	BB2	BB07	36	0.47	BB07
037	7cps-m6_A_DG4_DG5	BBB	BB00	35	0.57	BB00
038	7cps-m7_A_DG4_DG5	A-B	AB01	49	0.35	AB01
039	7cps-m8_A_DG4_DG5	BBB	BB00	17	0.46	BB00
040	7cps-m9_A_DG4_DG5	BBB	BB00	59	0.34	BB00
041	7cps-m10_A_DG5_DG6	BBB	BB01	62	0.20	BB01
042	7cps-m1_A_DG5_DG6	BB2	BB07	63	0.32	BB07
043	7cps-m2_A_DG5_DG6	BB2	BB07	73	0.30	BB07
044	7cps-m3_A_DG5_DG6	BBB	BB00	66	0.34	BB00
045	7cps-m4_A_DG5_DG6	BB2	BB07	59	0.37	BB07
046	7cps-m5_A_DG5_DG6	BB2	BB07	56	0.39	BB07
047	7cps-m6_A_DG5_DG6	B12	BB04	51	0.40	BB04
048	7cps-m7_A_DG5_DG6	BB2	BB07	67	0.32	BB07
049	7cps-m8_A_DG5_DG6	BB2	BB07	65	0.26	BB07
050	7cps-m9_A_DG5_DG6	BB2	BB07	43	0.48	BB07
051	7cps-m10_A_DG6_DT7	NAN	NANT	0	1.40	IC06
052	7cps-m1_A_DG6_DT7	NAN	NANT	0	0.88	IC03
053	7cps-m2_A_DG6_DT7	NAN	NANT	0	1.10	IC03
054	7cps-m3_A_DG6_DT7	NAN	NANT	0	1.50	IC06
055	7cps-m4_A_DG6_DT7	NAN	NANT	0	1.29	IC01
056	7cps-m5_A_DG6_DT7	NAN	NANT	0	1.29	OP20
057	7cps-m6_A_DG6_DT7	NAN	NANT	0	0.93	IC01
058	7cps-m7_A_DG6_DT7	NAN	NANT	0	1.21	OP20
059	7cps-m8_A_DG6_DT7	NAN	NANT	0	1.57	OP20
060	7cps-m9_A_DG6_DT7	NAN	NANT	0	1.46	IC06
061	7cps-m10_B_DT8_DT9	OPN	OP22	64	0.73	OP22
062	7cps-m1_B_DT8_DT9	NAN	NANT	0	1.09	OP22
063	7cps-m2_B_DT8_DT9	OPN	OP22	66	0.67	OP22
064	7cps-m3_B_DT8_DT9	NAN	NANT	0	1.01	OP22
065	7cps-m4_B_DT8_DT9	B-A	BA01	28	0.32	BA01
066	7cps-m5_B_DT8_DT9	OPN	OP22	61	0.65	OP22
067	7cps-m6_B_DT8_DT9	OPN	OP22	64	0.75	OP22
068	7cps-m7_B_DT8_DT9	NAN	NANT	0	0.95	OP22
069	7cps-m8_B_DT8_DT9	OPN	OP22	58	0.60	OP22
070	7cps-m9_B_DT8_DT9	NAN	NANT	0	0.81	OP22
071	7cps-m10_B_DT9_DG10	BBB	BB01	24	0.24	BB01
072	7cps-m1_B_DT9_DG10	B-A	BA05	83	0.15	BA05
073	7cps-m2_B_DT9_DG10	B-A	BA05	40	0.11	BA05
074	7cps-m3_B_DT9_DG10	B-A	BA01	63	0.29	BA01
075	7cps-m4_B_DT9_DG10	A-B	AB01	38	0.42	AB01
076	7cps-m5_B_DT9_DG10	B-A	BA01	58	0.31	BA01
077	7cps-m6_B_DT9_DG10	BBB	BB00	67	0.21	BB00
078	7cps-m7_B_DT9_DG10	B-A	BA05	81	0.14	BA05
079	7cps-m8_B_DT9_DG10	B-A	BA05	86	0.20	BA05
080	7cps-m9_B_DT9_DG10	B-A	BA05	80	0.16	BA05
081	7cps-m10_B_DG10_DG11	A-B	AB03	38	0.41	AB03
082	7cps-m1_B_DG10_DG11	AAA	AA02	53	0.52	AA02
083	7cps-m2_B_DG10_DG11	NAN	NANT	0	0.57	AA02
084	7cps-m3_B_DG10_DG11	A-B	AB01	76	0.34	AB01
085	7cps-m4_B_DG10_DG11	BBB	BB00	25	0.45	BB00
086	7cps-m5_B_DG10_DG11	A-B	AB01	73	0.32	AB01
087	7cps-m6_B_DG10_DG11	B-A	BA01	31	0.27	BA01
088	7cps-m7_B_DG10_DG11	A-B	AB01	62	0.34	AB01
089	7cps-m8_B_DG10_DG11	NAN	NANT	0	0.77	AA02
090	7cps-m9_B_DG10_DG11	A-B	AB03	29	0.56	AB03
091	7cps-m10_B_DG11_DG12	BB2	BB07	48	0.45	BB07
092	7cps-m1_B_DG11_DG12	A-B	AB01	79	0.36	AB01
093	7cps-m2_B_DG11_DG12	BBB	BB00	38	0.36	BB00
094	7cps-m3_B_DG11_DG12	BBB	BB00	42	0.46	BB00
095	7cps-m4_B_DG11_DG12	BB2	BB07	51	0.34	BB07
096	7cps-m5_B_DG11_DG12	BBB	BB00	47	0.38	BB00
097	7cps-m6_B_DG11_DG12	A-B	AB01	61	0.45	AB01
098	7cps-m7_B_DG11_DG12	BBB	BB00	52	0.35	BB00
099	7cps-m8_B_DG11_DG12	A-B	AB01	50	0.49	AB01
100	7cps-m9_B_DG11_DG12	BB2	BB07	35	0.26	BB07
101	7cps-m10_B_DG12_DG13	BB2	BB07	67	0.19	BB07
102	7cps-m1_B_DG12_DG13	BB2	BB07	65	0.20	BB07
103	7cps-m2_B_DG12_DG13	B12	BB04	18	0.50	BB04
104	7cps-m3_B_DG12_DG13	BB2	BB07	57	0.28	BB07
105	7cps-m4_B_DG12_DG13	BBB	BB00	59	0.34	BB00
106	7cps-m5_B_DG12_DG13	BB2	BB07	57	0.38	BB07
107	7cps-m6_B_DG12_DG13	BB2	BB07	51	0.43	BB07
108	7cps-m7_B_DG12_DG13	BB2	BB07	24	0.50	BB07
109	7cps-m8_B_DG12_DG13	BB2	BB07	53	0.29	BB07
110	7cps-m9_B_DG12_DG13	BBB	BB00	36	0.45	BB00
111	7cps-m10_B_DG13_DT14	NAN	NANT	0	0.73	BB02
112	7cps-m1_B_DG13_DT14	NAN	NANT	0	0.76	BB02
113	7cps-m2_B_DG13_DT14	NAN	NANT	0	0.94	BB02
114	7cps-m3_B_DG13_DT14	NAN	NANT	0	0.64	BB02
115	7cps-m4_B_DG13_DT14	NAN	NANT	0	0.79	BB02
116	7cps-m5_B_DG13_DT14	NAN	NANT	0	0.71	IC03
117	7cps-m6_B_DG13_DT14	NAN	NANT	0	0.99	BB02
118	7cps-m7_B_DG13_DT14	NAN	NANT	0	0.72	IC03
119	7cps-m8_B_DG13_DT14	NAN	NANT	0	0.63	BB02
120	7cps-m9_B_DG13_DT14	NAN	NANT	0	0.81	BB02
121	7cps-m10_C_DT15_DT16	NAN	NANT	0	0.47	BB07
122	7cps-m1_C_DT15_DT16	NAN	NANT	0	0.94	BB16
123	7cps-m2_C_DT15_DT16	OPN	OP22	39	0.76	OP22
124	7cps-m3_C_DT15_DT16	BBB	BB00	49	0.32	BB00
125	7cps-m4_C_DT15_DT16	NAN	NANT	0	0.57	BB16
126	7cps-m5_C_DT15_DT16	B-A	BA17	67	0.32	BA17
127	7cps-m6_C_DT15_DT16	BBB	BB00	36	0.46	BB00
128	7cps-m7_C_DT15_DT16	NAN	NANT	0	0.73	AA09
129	7cps-m8_C_DT15_DT16	NAN	NANT	0	0.93	BB16
130	7cps-m9_C_DT15_DT16	BB2	BB07	26	0.43	BB07
131	7cps-m10_C_DT16_DG17	NAN	NANT	0	0.61	BB01
132	7cps-m1_C_DT16_DG17	BBB	BB01	53	0.25	BB01
133	7cps-m2_C_DT16_DG17	BBB	BB01	58	0.36	BB01
134	7cps-m3_C_DT16_DG17	NAN	NANT	0	0.62	AB03
135	7cps-m4_C_DT16_DG17	B-A	BA01	58	0.29	BA01
136	7cps-m5_C_DT16_DG17	A-B	AB03	20	0.60	AB03
137	7cps-m6_C_DT16_DG17	BBw	BB16	12	0.70	BB16
138	7cps-m7_C_DT16_DG17	NAN	NANT	0	0.67	AA02
139	7cps-m8_C_DT16_DG17	B-A	BA05	9	0.29	BA05
140	7cps-m9_C_DT16_DG17	BBB	BB01	18	0.35	BB01
141	7cps-m10_C_DG17_DG18	AAA	AA02	65	0.71	AA02
142	7cps-m1_C_DG17_DG18	BBB	BB00	33	0.46	BB00
143	7cps-m2_C_DG17_DG18	BBB	BB00	11	0.61	BB00
144	7cps-m3_C_DG17_DG18	A-B	AB03	33	0.59	AB03
145	7cps-m4_C_DG17_DG18	A-B	AB01	74	0.34	AB01
146	7cps-m5_C_DG17_DG18	AAA	AA02	36	0.69	AA02
147	7cps-m6_C_DG17_DG18	NAN	NANT	0	0.63	AA02
148	7cps-m7_C_DG17_DG18	A-B	AB01	84	0.25	AB01
149	7cps-m8_C_DG17_DG18	NAN	NANT	0	0.56	AB03
150	7cps-m9_C_DG17_DG18	AAA	AA02	66	0.67	AA02
151	7cps-m10_C_DG18_DG19	A-B	AB01	52	0.49	AB01
152	7cps-m1_C_DG18_DG19	BB2	BB07	24	0.51	BB07
153	7cps-m2_C_DG18_DG19	BB2	BB07	13	0.39	BB07
154	7cps-m3_C_DG18_DG19	BB2	BB07	28	0.32	BB07
155	7cps-m4_C_DG18_DG19	BBB	BB00	13	0.58	BB00
156	7cps-m5_C_DG18_DG19	A-B	AB01	67	0.33	AB01
157	7cps-m6_C_DG18_DG19	A-B	AB01	57	0.42	AB01
158	7cps-m7_C_DG18_DG19	NAN	NANT	0	0.45	BB16
159	7cps-m8_C_DG18_DG19	BB2	BB07	27	0.35	BB07
160	7cps-m9_C_DG18_DG19	A-B	AB01	79	0.37	AB01
161	7cps-m10_C_DG19_DG20	NAN	NANT	0	0.29	BB08
162	7cps-m1_C_DG19_DG20	NAN	NANT	0	0.42	BB08
163	7cps-m2_C_DG19_DG20	BB2	BB08	49	0.33	BB08
164	7cps-m3_C_DG19_DG20	NAN	NANT	0	0.38	BB08
165	7cps-m4_C_DG19_DG20	BB2	BB08	30	0.43	BB08
166	7cps-m5_C_DG19_DG20	BB2	BB08	51	0.35	BB08
167	7cps-m6_C_DG19_DG20	BB2	BB08	46	0.25	BB08
168	7cps-m7_C_DG19_DG20	NAN	NANT	0	0.49	BB08
169	7cps-m8_C_DG19_DG20	BB2	BB08	40	0.33	BB08
170	7cps-m9_C_DG19_DG20	BB2	BB08	54	0.27	BB08
171	7cps-m10_C_DG20_DT21	NAN	NANT	0	0.72	BB02
172	7cps-m1_C_DG20_DT21	NAN	NANT	0	1.26	BB15
173	7cps-m2_C_DG20_DT21	NAN	NANT	0	1.30	BB15
174	7cps-m3_C_DG20_DT21	NAN	NANT	0	0.94	BB02
175	7cps-m4_C_DG20_DT21	NAN	NANT	0	1.30	BB15
176	7cps-m5_C_DG20_DT21	NAN	NANT	0	1.32	BB15
177	7cps-m6_C_DG20_DT21	NAN	NANT	0	1.08	IC06
178	7cps-m7_C_DG20_DT21	NAN	NANT	0	1.26	BB15
179	7cps-m8_C_DG20_DT21	NAN	NANT	0	1.16	IC06
180	7cps-m9_C_DG20_DT21	NAN	NANT	0	0.95	BB02
181	7cps-m10_D_DT22_DT23	NAN	NANT	0	0.53	IC03
182	7cps-m1_D_DT22_DT23	NAN	NANT	0	0.84	BB02
183	7cps-m2_D_DT22_DT23	NAN	NANT	0	0.68	IC01
184	7cps-m3_D_DT22_DT23	NAN	NANT	0	0.92	BB02
185	7cps-m4_D_DT22_DT23	NAN	NANT	0	0.54	IC03
186	7cps-m5_D_DT22_DT23	NAN	NANT	0	0.53	IC03
187	7cps-m6_D_DT22_DT23	NAN	NANT	0	0.57	IC03
188	7cps-m7_D_DT22_DT23	NAN	NANT	0	0.54	IC03
189	7cps-m8_D_DT22_DT23	NAN	NANT	0	0.52	IC03
190	7cps-m9_D_DT22_DT23	NAN	NANT	0	0.62	IC03
191	7cps-m10_D_DT23_DG24	B-A	BA05	40	0.32	BA05
192	7cps-m1_D_DT23_DG24	B-A	BA01	44	0.44	BA01
193	7cps-m2_D_DT23_DG24	B-A	BA05	27	0.32	BA05
194	7cps-m3_D_DT23_DG24	B-A	BA05	76	0.26	BA05
195	7cps-m4_D_DT23_DG24	BBB	BB00	33	0.31	BB00
196	7cps-m5_D_DT23_DG24	B-A	BA05	36	0.34	BA05
197	7cps-m6_D_DT23_DG24	B-A	BA05	64	0.23	BA05
198	7cps-m7_D_DT23_DG24	B-A	BA05	62	0.33	BA05
199	7cps-m8_D_DT23_DG24	B-A	BA05	41	0.26	BA05
200	7cps-m9_D_DT23_DG24	B-A	BA05	65	0.35	BA05
201	7cps-m10_D_DG24_DG25	A-B	AB01	9	0.51	AB01
202	7cps-m1_D_DG24_DG25	A-B	AB01	50	0.47	AB01
203	7cps-m2_D_DG24_DG25	A-B	AB01	31	0.43	AB01
204	7cps-m3_D_DG24_DG25	A-B	AB01	36	0.42	AB01
205	7cps-m4_D_DG24_DG25	BBB	BB00	44	0.33	BB00
206	7cps-m5_D_DG24_DG25	A-B	AB01	35	0.44	AB01
207	7cps-m6_D_DG24_DG25	AAA	AA02	74	0.42	AA02
208	7cps-m7_D_DG24_DG25	A-B	AB01	29	0.49	AB01
209	7cps-m8_D_DG24_DG25	A-B	AB01	29	0.43	AB01
210	7cps-m9_D_DG24_DG25	BBB	BB00	26	0.31	BB00
211	7cps-m10_D_DG25_DG26	BB2	BB07	43	0.24	BB07
212	7cps-m1_D_DG25_DG26	BB2	BB07	46	0.33	BB07
213	7cps-m2_D_DG25_DG26	BB2	BB07	50	0.31	BB07
214	7cps-m3_D_DG25_DG26	BB2	BB07	52	0.28	BB07
215	7cps-m4_D_DG25_DG26	BB2	BB07	28	0.35	BB07
216	7cps-m5_D_DG25_DG26	BB2	BB07	51	0.29	BB07
217	7cps-m6_D_DG25_DG26	A-B	AB01	17	0.37	AB01
218	7cps-m7_D_DG25_DG26	BB2	BB07	37	0.42	BB07
219	7cps-m8_D_DG25_DG26	BB2	BB07	43	0.34	BB07
220	7cps-m9_D_DG25_DG26	BB2	BB07	29	0.42	BB07
221	7cps-m10_D_DG26_DG27	NAN	NANT	0	0.50	BB08
222	7cps-m1_D_DG26_DG27	BB2	BB08	15	0.44	BB08
223	7cps-m2_D_DG26_DG27	NAN	NANT	0	0.47	BB08
224	7cps-m3_D_DG26_DG27	BB2	BB08	21	0.47	BB08
225	7cps-m4_D_DG26_DG27	NAN	NANT	0	0.37	BB08
226	7cps-m5_D_DG26_DG27	NAN	NANT	0	0.49	BB08
227	7cps-m6_D_DG26_DG27	BB2	BB08	51	0.25	BB08
228	7cps-m7_D_DG26_DG27	BB2	BB08	31	0.40	BB08
229	7cps-m8_D_DG26_DG27	NAN	NANT	0	0.24	BB08
230	7cps-m9_D_DG26_DG27	BB2	BB08	48	0.29	BB08
231	7cps-m10_D_DG27_DT28	NAN	NANT	0	1.22	IC06
232	7cps-m1_D_DG27_DT28	NAN	NANT	0	0.70	BB02
233	7cps-m2_D_DG27_DT28	NAN	NANT	0	0.64	BB02
234	7cps-m3_D_DG27_DT28	NAN	NANT	0	1.38	IC02
235	7cps-m4_D_DG27_DT28	NAN	NANT	0	0.70	BB02
236	7cps-m5_D_DG27_DT28	NAN	NANT	0	0.55	BB02
237	7cps-m6_D_DG27_DT28	NAN	NANT	0	0.73	BB02
238	7cps-m7_D_DG27_DT28	NAN	NANT	0	0.54	BB02
239	7cps-m8_D_DG27_DT28	NAN	NANT	0	0.66	BB02
240	7cps-m9_D_DG27_DT28	NAN	NANT	0	1.07	IC06

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 240 detected steps in 10 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

Download

Restraints

User-based restraints

Definitions

Download the papers

Browse conformers

Show

group
visible