DNATCO v4.1: results

Three-quartet c-kit2 G-quadruplex stabilized by a pyrene conjugate

Results of the assignment of 190 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	7nwd-m10_A_DG2_DG3	B-A	BA05	31	0.34	BA05
002	7nwd-m1_A_DG2_DG3	BBB	BB00	35	0.35	BB00
003	7nwd-m2_A_DG2_DG3	BBB	BB00	28	0.33	BB00
004	7nwd-m3_A_DG2_DG3	BBB	BB01	60	0.25	BB01
005	7nwd-m4_A_DG2_DG3	BBB	BB01	9	0.42	BB01
006	7nwd-m5_A_DG2_DG3	BBB	BB00	60	0.28	BB00
007	7nwd-m6_A_DG2_DG3	BBB	BB00	37	0.35	BB00
008	7nwd-m7_A_DG2_DG3	BBB	BB01	56	0.29	BB01
009	7nwd-m8_A_DG2_DG3	BBB	BB00	58	0.36	BB00
010	7nwd-m9_A_DG2_DG3	BBB	BB00	52	0.29	BB00
011	7nwd-m10_A_DG3_DG4	BBB	BB00	15	0.32	BB00
012	7nwd-m1_A_DG3_DG4	BBB	BB00	50	0.39	BB00
013	7nwd-m2_A_DG3_DG4	BBB	BB00	45	0.30	BB00
014	7nwd-m3_A_DG3_DG4	BBB	BB00	40	0.29	BB00
015	7nwd-m4_A_DG3_DG4	BBB	BB00	39	0.32	BB00
016	7nwd-m5_A_DG3_DG4	BBB	BB00	61	0.32	BB00
017	7nwd-m6_A_DG3_DG4	BBB	BB00	63	0.21	BB00
018	7nwd-m7_A_DG3_DG4	BBB	BB00	50	0.24	BB00
019	7nwd-m8_A_DG3_DG4	BBB	BB00	63	0.32	BB00
020	7nwd-m9_A_DG3_DG4	BBB	BB00	25	0.37	BB00
021	7nwd-m10_A_DG4_DC5	NAN	NANT	0	1.03	OP18
022	7nwd-m1_A_DG4_DC5	NAN	NANT	0	1.03	OP18
023	7nwd-m2_A_DG4_DC5	NAN	NANT	0	0.81	OP18
024	7nwd-m3_A_DG4_DC5	NAN	NANT	0	0.96	OP18
025	7nwd-m4_A_DG4_DC5	NAN	NANT	0	1.08	OP21
026	7nwd-m5_A_DG4_DC5	NAN	NANT	0	0.83	OP18
027	7nwd-m6_A_DG4_DC5	NAN	NANT	0	0.96	OP21
028	7nwd-m7_A_DG4_DC5	NAN	NANT	0	1.06	OP18
029	7nwd-m8_A_DG4_DC5	NAN	NANT	0	0.69	OP18
030	7nwd-m9_A_DG4_DC5	NAN	NANT	0	0.97	OP18
031	7nwd-m10_A_DC5_DG6	NAN	NANT	0	1.54	OP14
032	7nwd-m1_A_DC5_DG6	NAN	NANT	0	0.73	OP21
033	7nwd-m2_A_DC5_DG6	NAN	NANT	0	0.69	OP21
034	7nwd-m3_A_DC5_DG6	NAN	NANT	0	0.66	OP21
035	7nwd-m4_A_DC5_DG6	NAN	NANT	0	0.79	OP21
036	7nwd-m5_A_DC5_DG6	NAN	NANT	0	0.72	OP21
037	7nwd-m6_A_DC5_DG6	NAN	NANT	0	0.61	OP21
038	7nwd-m7_A_DC5_DG6	NAN	NANT	0	0.82	OP18
039	7nwd-m8_A_DC5_DG6	NAN	NANT	0	1.01	OP30
040	7nwd-m9_A_DC5_DG6	NAN	NANT	0	1.09	OP30
041	7nwd-m10_A_DG6_DG7	NAN	NANT	0	0.73	BB08
042	7nwd-m1_A_DG6_DG7	NAN	NANT	0	0.68	BA17
043	7nwd-m2_A_DG6_DG7	BB2	BB07	17	0.67	BB07
044	7nwd-m3_A_DG6_DG7	BB2	BB07	23	0.59	BB07
045	7nwd-m4_A_DG6_DG7	NAN	NANT	0	0.72	BA17
046	7nwd-m5_A_DG6_DG7	NAN	NANT	0	0.76	BA17
047	7nwd-m6_A_DG6_DG7	BB2	BB07	23	0.55	BB07
048	7nwd-m7_A_DG6_DG7	NAN	NANT	0	0.64	BB07
049	7nwd-m8_A_DG6_DG7	NAN	NANT	0	0.76	BA17
050	7nwd-m9_A_DG6_DG7	BB2	BB07	25	0.60	BB07
051	7nwd-m10_A_DG7_DG8	BBB	BB00	63	0.50	BB00
052	7nwd-m1_A_DG7_DG8	A-B	AB03	42	0.63	AB03
053	7nwd-m2_A_DG7_DG8	B12	BB04	10	0.45	BB04
054	7nwd-m3_A_DG7_DG8	BBB	BB00	34	0.58	BB00
055	7nwd-m4_A_DG7_DG8	A-B	AB03	37	0.49	AB03
056	7nwd-m5_A_DG7_DG8	BB2	BB07	37	0.34	BB07
057	7nwd-m6_A_DG7_DG8	B12	BB04	14	0.50	BB04
058	7nwd-m7_A_DG7_DG8	B12	BB04	21	0.37	BB04
059	7nwd-m8_A_DG7_DG8	BBB	BB01	11	0.52	BB01
060	7nwd-m9_A_DG7_DG8	BB2	BB07	35	0.34	BB07
061	7nwd-m10_A_DG8_DC9	NAN	NANT	0	0.82	OP10
062	7nwd-m1_A_DG8_DC9	NAN	NANT	0	0.95	OP22
063	7nwd-m2_A_DG8_DC9	NAN	NANT	0	1.06	OP22
064	7nwd-m3_A_DG8_DC9	NAN	NANT	0	1.03	OP22
065	7nwd-m4_A_DG8_DC9	NAN	NANT	0	1.30	OP22
066	7nwd-m5_A_DG8_DC9	NAN	NANT	0	1.16	OP22
067	7nwd-m6_A_DG8_DC9	NAN	NANT	0	0.80	OP22
068	7nwd-m7_A_DG8_DC9	NAN	NANT	0	1.28	OP22
069	7nwd-m8_A_DG8_DC9	NAN	NANT	0	1.04	OP22
070	7nwd-m9_A_DG8_DC9	NAN	NANT	0	0.64	OP10
071	7nwd-m10_A_DC9_DG10	NAN	NANT	0	0.63	OP22
072	7nwd-m1_A_DC9_DG10	NAN	NANT	0	0.88	ZZ02
073	7nwd-m2_A_DC9_DG10	NAN	NANT	0	0.93	ZZ02
074	7nwd-m3_A_DC9_DG10	NAN	NANT	0	0.66	OP22
075	7nwd-m4_A_DC9_DG10	BBB	BB00	18	0.39	BB00
076	7nwd-m5_A_DC9_DG10	NAN	NANT	0	0.86	ZZ02
077	7nwd-m6_A_DC9_DG10	BBB	BB00	9	0.47	BB00
078	7nwd-m7_A_DC9_DG10	NAN	NANT	0	0.59	OP22
079	7nwd-m8_A_DC9_DG10	BBB	BB00	23	0.44	BB00
080	7nwd-m9_A_DC9_DG10	NAN	NANT	0	0.98	ZZ02
081	7nwd-m10_A_DG10_DC11	NAN	NANT	0	0.71	OP25
082	7nwd-m1_A_DG10_DC11	NAN	NANT	0	0.42	BB16
083	7nwd-m2_A_DG10_DC11	NAN	NANT	0	0.90	OP25
084	7nwd-m3_A_DG10_DC11	NAN	NANT	0	0.52	OP25
085	7nwd-m4_A_DG10_DC11	NAN	NANT	0	2.24	BB14
086	7nwd-m5_A_DG10_DC11	NAN	NANT	0	0.90	OP25
087	7nwd-m6_A_DG10_DC11	NAN	NANT	0	0.80	OP18
088	7nwd-m7_A_DG10_DC11	NAN	NANT	0	1.36	OP28
089	7nwd-m8_A_DG10_DC11	NAN	NANT	0	0.67	OP25
090	7nwd-m9_A_DG10_DC11	NAN	NANT	0	0.71	OP25
091	7nwd-m10_A_DC11_DT12	BBB	BB00	71	0.30	BB00
092	7nwd-m1_A_DC11_DT12	NAN	NANT	0	0.82	OP22
093	7nwd-m2_A_DC11_DT12	BBB	BB00	77	0.40	BB00
094	7nwd-m3_A_DC11_DT12	BBB	BB01	66	0.35	BB01
095	7nwd-m4_A_DC11_DT12	NAN	NANT	0	0.77	OP26
096	7nwd-m5_A_DC11_DT12	BBB	BB00	69	0.45	BB00
097	7nwd-m6_A_DC11_DT12	BBB	BB00	61	0.33	BB00
098	7nwd-m7_A_DC11_DT12	BBB	BB00	77	0.38	BB00
099	7nwd-m8_A_DC11_DT12	BBB	BB01	82	0.22	BB01
100	7nwd-m9_A_DC11_DT12	BBB	BB01	68	0.38	BB01
101	7nwd-m10_A_DT12_DA13	BBB	BB00	61	0.50	BB00
102	7nwd-m1_A_DT12_DA13	BBB	BB00	20	0.47	BB00
103	7nwd-m2_A_DT12_DA13	BBB	BB01	70	0.39	BB01
104	7nwd-m3_A_DT12_DA13	BBB	BB00	55	0.46	BB00
105	7nwd-m4_A_DT12_DA13	NAN	NANT	0	0.62	BB00
106	7nwd-m5_A_DT12_DA13	BBB	BB00	67	0.39	BB00
107	7nwd-m6_A_DT12_DA13	NAN	NANT	0	0.63	BB00
108	7nwd-m7_A_DT12_DA13	BBB	BB00	72	0.46	BB00
109	7nwd-m8_A_DT12_DA13	BBB	BB00	13	0.50	BB00
110	7nwd-m9_A_DT12_DA13	BBB	BB01	33	0.47	BB01
111	7nwd-m10_A_DA13_DG14	NAN	NANT	0	0.81	OP25
112	7nwd-m1_A_DA13_DG14	NAN	NANT	0	1.12	OP14
113	7nwd-m2_A_DA13_DG14	NAN	NANT	0	0.67	OP25
114	7nwd-m3_A_DA13_DG14	NAN	NANT	0	0.87	OP25
115	7nwd-m4_A_DA13_DG14	NAN	NANT	0	1.92	OP21
116	7nwd-m5_A_DA13_DG14	NAN	NANT	0	0.95	OP25
117	7nwd-m6_A_DA13_DG14	NAN	NANT	0	1.27	OP25
118	7nwd-m7_A_DA13_DG14	NAN	NANT	0	0.66	OP25
119	7nwd-m8_A_DA13_DG14	NAN	NANT	0	1.27	OP25
120	7nwd-m9_A_DA13_DG14	NAN	NANT	0	0.94	OP25
121	7nwd-m10_A_DG14_DG15	BBB	BB00	68	0.20	BB00
122	7nwd-m1_A_DG14_DG15	BBB	BB00	40	0.31	BB00
123	7nwd-m2_A_DG14_DG15	NAN	NANT	0	0.58	AB02
124	7nwd-m3_A_DG14_DG15	BBB	BB00	37	0.38	BB00
125	7nwd-m4_A_DG14_DG15	BBB	BB01	45	0.24	BB01
126	7nwd-m5_A_DG14_DG15	BBB	BB00	27	0.43	BB00
127	7nwd-m6_A_DG14_DG15	NAN	NANT	0	0.38	BB00
128	7nwd-m7_A_DG14_DG15	NAN	NANT	0	0.53	AB02
129	7nwd-m8_A_DG14_DG15	BBB	BB00	21	0.30	BB00
130	7nwd-m9_A_DG14_DG15	BBB	BB00	42	0.27	BB00
131	7nwd-m10_A_DG15_DG16	BBB	BB00	66	0.37	BB00
132	7nwd-m1_A_DG15_DG16	BBB	BB00	58	0.35	BB00
133	7nwd-m2_A_DG15_DG16	BBB	BB00	31	0.42	BB00
134	7nwd-m3_A_DG15_DG16	BB2	BB07	72	0.25	BB07
135	7nwd-m4_A_DG15_DG16	BBB	BB00	71	0.28	BB00
136	7nwd-m5_A_DG15_DG16	B12	BB04	60	0.29	BB04
137	7nwd-m6_A_DG15_DG16	BBB	BB01	71	0.17	BB01
138	7nwd-m7_A_DG15_DG16	BBB	BB00	23	0.41	BB00
139	7nwd-m8_A_DG15_DG16	BBB	BB00	77	0.24	BB00
140	7nwd-m9_A_DG15_DG16	BBB	BB00	75	0.28	BB00
141	7nwd-m10_A_DG16_DA17	NAN	NANT	0	0.93	OP18
142	7nwd-m1_A_DG16_DA17	OPN	OP18	18	0.88	OP18
143	7nwd-m2_A_DG16_DA17	NAN	NANT	0	0.84	OP18
144	7nwd-m3_A_DG16_DA17	NAN	NANT	0	0.59	OP18
145	7nwd-m4_A_DG16_DA17	NAN	NANT	0	1.07	OP18
146	7nwd-m5_A_DG16_DA17	OPN	OP18	44	0.64	OP18
147	7nwd-m6_A_DG16_DA17	NAN	NANT	0	0.91	OP18
148	7nwd-m7_A_DG16_DA17	NAN	NANT	0	0.60	OP21
149	7nwd-m8_A_DG16_DA17	NAN	NANT	0	0.75	OP21
150	7nwd-m9_A_DG16_DA17	NAN	NANT	0	0.77	OP21
151	7nwd-m10_A_DA17_DG18	NAN	NANT	0	0.79	OP21
152	7nwd-m1_A_DA17_DG18	NAN	NANT	0	2.09	OP06
153	7nwd-m2_A_DA17_DG18	NAN	NANT	0	0.75	OP21
154	7nwd-m3_A_DA17_DG18	NAN	NANT	0	0.60	OP21
155	7nwd-m4_A_DA17_DG18	NAN	NANT	0	0.82	OP21
156	7nwd-m5_A_DA17_DG18	NAN	NANT	0	0.60	OP21
157	7nwd-m6_A_DA17_DG18	NAN	NANT	0	0.54	OP21
158	7nwd-m7_A_DA17_DG18	NAN	NANT	0	0.46	OP21
159	7nwd-m8_A_DA17_DG18	NAN	NANT	0	0.52	OP21
160	7nwd-m9_A_DA17_DG18	NAN	NANT	0	0.69	OP21
161	7nwd-m10_A_DG18_DG19	BBB	BB00	13	0.55	BB00
162	7nwd-m1_A_DG18_DG19	BBB	BB00	18	0.52	BB00
163	7nwd-m2_A_DG18_DG19	BBB	BB01	15	0.41	BB01
164	7nwd-m3_A_DG18_DG19	BBB	BB01	42	0.28	BB01
165	7nwd-m4_A_DG18_DG19	BBB	BB00	29	0.37	BB00
166	7nwd-m5_A_DG18_DG19	BBB	BB01	47	0.30	BB01
167	7nwd-m6_A_DG18_DG19	BBB	BB01	10	0.37	BB01
168	7nwd-m7_A_DG18_DG19	BBB	BB01	37	0.27	BB01
169	7nwd-m8_A_DG18_DG19	BBB	BB01	22	0.33	BB01
170	7nwd-m9_A_DG18_DG19	BBB	BB01	45	0.26	BB01
171	7nwd-m10_A_DG19_DG20	BB2	BB07	17	0.58	BB07
172	7nwd-m1_A_DG19_DG20	BB2	BB07	19	0.50	BB07
173	7nwd-m2_A_DG19_DG20	BBB	BB00	17	0.55	BB00
174	7nwd-m3_A_DG19_DG20	BBB	BB00	38	0.41	BB00
175	7nwd-m4_A_DG19_DG20	NAN	NANT	0	0.59	BB16
176	7nwd-m5_A_DG19_DG20	BBB	BB00	29	0.57	BB00
177	7nwd-m6_A_DG19_DG20	A-B	AB03	35	0.48	AB03
178	7nwd-m7_A_DG19_DG20	BBB	BB00	20	0.56	BB00
179	7nwd-m8_A_DG19_DG20	BBB	BB00	14	0.63	BB00
180	7nwd-m9_A_DG19_DG20	NAN	NANT	0	0.48	AB03
181	7nwd-m10_A_DG20_DT21	BBB	BB01	40	0.30	BB01
182	7nwd-m1_A_DG20_DT21	BBB	BB01	46	0.22	BB01
183	7nwd-m2_A_DG20_DT21	BBB	BB01	47	0.32	BB01
184	7nwd-m3_A_DG20_DT21	B-A	BA05	57	0.36	BA05
185	7nwd-m4_A_DG20_DT21	BBB	BB01	15	0.34	BB01
186	7nwd-m5_A_DG20_DT21	BBB	BB01	42	0.27	BB01
187	7nwd-m6_A_DG20_DT21	B-A	BA05	66	0.37	BA05
188	7nwd-m7_A_DG20_DT21	BBB	BB01	14	0.33	BB01
189	7nwd-m8_A_DG20_DT21	BBB	BB01	40	0.31	BB01
190	7nwd-m9_A_DG20_DT21	BBB	BB01	51	0.30	BB01

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

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