DNATCO v4.1: results

Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues

Results of the assignment of 198 detected steps in 11 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	8i45-m10_A_G1_G2	AAA	AA00	60	0.21	AA00
002	8i45-m11_A_G1_G2	AAA	AA00	81	0.19	AA00
003	8i45-m1_A_G1_G2	AAA	AA00	81	0.20	AA00
004	8i45-m2_A_G1_G2	AAA	AA00	78	0.22	AA00
005	8i45-m3_A_G1_G2	AAA	AA00	81	0.18	AA00
006	8i45-m4_A_G1_G2	AAA	AA00	77	0.23	AA00
007	8i45-m5_A_G1_G2	AAA	AA00	77	0.23	AA00
008	8i45-m6_A_G1_G2	AAA	AA00	77	0.23	AA00
009	8i45-m7_A_G1_G2	AAA	AA00	54	0.25	AA00
010	8i45-m8_A_G1_G2	AAA	AA00	54	0.25	AA00
011	8i45-m9_A_G1_G2	AAA	AA00	54	0.25	AA00
012	8i45-m10_A_G2_A3	AAA	AA00	54	0.33	AA00
013	8i45-m11_A_G2_A3	AAA	AA00	72	0.27	AA00
014	8i45-m1_A_G2_A3	AAA	AA00	70	0.26	AA00
015	8i45-m2_A_G2_A3	AAA	AA00	75	0.26	AA00
016	8i45-m3_A_G2_A3	AAA	AA00	70	0.27	AA00
017	8i45-m4_A_G2_A3	AAA	AA00	78	0.25	AA00
018	8i45-m5_A_G2_A3	AAA	AA00	78	0.25	AA00
019	8i45-m6_A_G2_A3	AAA	AA00	78	0.25	AA00
020	8i45-m7_A_G2_A3	AAA	AA00	57	0.32	AA00
021	8i45-m8_A_G2_A3	AAA	AA00	54	0.33	AA00
022	8i45-m9_A_G2_A3	AAA	AA00	56	0.32	AA00
023	8i45-m10_A_A3_C4	AAA	AA00	70	0.20	AA00
024	8i45-m11_A_A3_C4	AAA	AA00	79	0.20	AA00
025	8i45-m1_A_A3_C4	AAA	AA00	83	0.20	AA00
026	8i45-m2_A_A3_C4	AAA	AA00	79	0.20	AA00
027	8i45-m3_A_A3_C4	AAA	AA00	79	0.18	AA00
028	8i45-m4_A_A3_C4	AAA	AA00	76	0.19	AA00
029	8i45-m5_A_A3_C4	AAA	AA00	78	0.19	AA00
030	8i45-m6_A_A3_C4	AAA	AA00	78	0.19	AA00
031	8i45-m7_A_A3_C4	AAA	AA00	74	0.19	AA00
032	8i45-m8_A_A3_C4	AAA	AA00	73	0.18	AA00
033	8i45-m9_A_A3_C4	AAA	AA00	73	0.19	AA00
034	8i45-m10_A_C4_G5	NAN	NANT	0	0.78	AA11
035	8i45-m11_A_C4_G5	NAN	NANT	0	0.81	AA11
036	8i45-m1_A_C4_G5	NAN	NANT	0	0.73	AA11
037	8i45-m2_A_C4_G5	NAN	NANT	0	0.78	AA11
038	8i45-m3_A_C4_G5	NAN	NANT	0	0.81	AA11
039	8i45-m4_A_C4_G5	NAN	NANT	0	0.77	AA11
040	8i45-m5_A_C4_G5	NAN	NANT	0	0.79	AA11
041	8i45-m6_A_C4_G5	NAN	NANT	0	0.79	AA11
042	8i45-m7_A_C4_G5	NAN	NANT	0	0.78	AA11
043	8i45-m8_A_C4_G5	NAN	NANT	0	0.82	AA11
044	8i45-m9_A_C4_G5	NAN	NANT	0	0.80	AA11
045	8i45-m10_A_G5_C6	AAA	AA00	51	0.24	AA00
046	8i45-m11_A_G5_C6	AAA	AA00	52	0.27	AA00
047	8i45-m1_A_G5_C6	AAA	AA00	60	0.27	AA00
048	8i45-m2_A_G5_C6	AAA	AA00	64	0.29	AA00
049	8i45-m3_A_G5_C6	AAA	AA00	54	0.23	AA00
050	8i45-m4_A_G5_C6	AAA	AA00	58	0.27	AA00
051	8i45-m5_A_G5_C6	AAA	AA00	51	0.26	AA00
052	8i45-m6_A_G5_C6	AAA	AA00	51	0.26	AA00
053	8i45-m7_A_G5_C6	AAA	AA00	58	0.27	AA00
054	8i45-m8_A_G5_C6	AAA	AA00	49	0.24	AA00
055	8i45-m9_A_G5_C6	AAA	AA00	52	0.26	AA00
056	8i45-m10_A_C6_U7	AAA	AA00	48	0.33	AA00
057	8i45-m11_A_C6_U7	AAA	AA00	58	0.38	AA00
058	8i45-m1_A_C6_U7	AAA	AA00	51	0.34	AA00
059	8i45-m2_A_C6_U7	AAA	AA00	48	0.40	AA00
060	8i45-m3_A_C6_U7	AAA	AA00	47	0.35	AA00
061	8i45-m4_A_C6_U7	AAA	AA00	47	0.36	AA00
062	8i45-m5_A_C6_U7	AAA	AA00	48	0.35	AA00
063	8i45-m6_A_C6_U7	AAA	AA00	48	0.35	AA00
064	8i45-m7_A_C6_U7	AAA	AA00	47	0.36	AA00
065	8i45-m8_A_C6_U7	AAA	AA00	49	0.34	AA00
066	8i45-m9_A_C6_U7	AAA	AA00	48	0.35	AA00
067	8i45-m10_A_U7_U8	NAN	NANT	0	1.00	AA11
068	8i45-m11_A_U7_U8	NAN	NANT	0	0.51	AA05
069	8i45-m1_A_U7_U8	NAN	NANT	0	0.72	AA05
070	8i45-m2_A_U7_U8	AAA	AA00	41	0.32	AA00
071	8i45-m3_A_U7_U8	AAA	AA00	40	0.35	AA00
072	8i45-m4_A_U7_U8	AAA	AA00	42	0.35	AA00
073	8i45-m5_A_U7_U8	NAN	NANT	0	0.82	AA05
074	8i45-m6_A_U7_U8	NAN	NANT	0	0.82	AA05
075	8i45-m7_A_U7_U8	AAA	AA00	41	0.35	AA00
076	8i45-m8_A_U7_U8	NAN	NANT	0	1.00	AA11
077	8i45-m9_A_U7_U8	NAN	NANT	0	0.82	AA05
078	8i45-m10_A_U8_U9	OPN	OP09	43	0.20	OP09
079	8i45-m11_A_U8_U9	NAN	NANT	0	1.41	OP18
080	8i45-m1_A_U8_U9	OPN	OP09	44	0.18	OP09
081	8i45-m2_A_U8_U9	OPN	OP09	76	0.17	OP09
082	8i45-m3_A_U8_U9	OPN	OP09	74	0.17	OP09
083	8i45-m4_A_U8_U9	OPN	OP09	75	0.17	OP09
084	8i45-m5_A_U8_U9	OPN	OP09	44	0.20	OP09
085	8i45-m6_A_U8_U9	OPN	OP09	44	0.20	OP09
086	8i45-m7_A_U8_U9	OPN	OP09	75	0.17	OP09
087	8i45-m8_A_U8_U9	OPN	OP09	43	0.20	OP09
088	8i45-m9_A_U8_U9	OPN	OP09	44	0.20	OP09
089	8i45-m10_A_U9_C10	NAN	NANT	0	0.55	OP20
090	8i45-m11_A_U9_C10	OPN	OP20	47	0.45	OP20
091	8i45-m1_A_U9_C10	NAN	NANT	0	0.52	OP20
092	8i45-m2_A_U9_C10	NAN	NANT	0	0.56	OP20
093	8i45-m3_A_U9_C10	NAN	NANT	0	0.59	OP20
094	8i45-m4_A_U9_C10	NAN	NANT	0	0.59	OP20
095	8i45-m5_A_U9_C10	NAN	NANT	0	0.54	OP20
096	8i45-m6_A_U9_C10	NAN	NANT	0	0.54	OP20
097	8i45-m7_A_U9_C10	NAN	NANT	0	0.59	OP20
098	8i45-m8_A_U9_C10	NAN	NANT	0	0.54	OP20
099	8i45-m9_A_U9_C10	NAN	NANT	0	0.54	OP20
100	8i45-m10_A_C10_G11	NAN	NANT	0	0.45	ZZ1S
101	8i45-m11_A_C10_G11	NAN	NANT	0	0.51	ZZ1S
102	8i45-m1_A_C10_G11	NAN	NANT	0	0.43	ZZ1S
103	8i45-m2_A_C10_G11	NAN	NANT	0	0.44	ZZ1S
104	8i45-m3_A_C10_G11	NAN	NANT	0	0.44	ZZ1S
105	8i45-m4_A_C10_G11	NAN	NANT	0	0.44	ZZ1S
106	8i45-m5_A_C10_G11	NAN	NANT	0	0.45	ZZ1S
107	8i45-m6_A_C10_G11	NAN	NANT	0	0.45	ZZ1S
108	8i45-m7_A_C10_G11	NAN	NANT	0	0.44	ZZ1S
109	8i45-m8_A_C10_G11	NAN	NANT	0	0.45	ZZ1S
110	8i45-m9_A_C10_G11	NAN	NANT	0	0.45	ZZ1S
111	8i45-m10_A_G11_A12	NAN	NANT	0	0.98	AAS1
112	8i45-m11_A_G11_A12	NAN	NANT	0	0.68	AAS1
113	8i45-m1_A_G11_A12	NAN	NANT	0	0.95	AAS1
114	8i45-m2_A_G11_A12	NAN	NANT	0	0.49	AA05
115	8i45-m3_A_G11_A12	NAN	NANT	0	0.72	AAS1
116	8i45-m4_A_G11_A12	NAN	NANT	0	0.71	AAS1
117	8i45-m5_A_G11_A12	NAN	NANT	0	0.98	AAS1
118	8i45-m6_A_G11_A12	NAN	NANT	0	0.98	AAS1
119	8i45-m7_A_G11_A12	NAN	NANT	0	0.71	AAS1
120	8i45-m8_A_G11_A12	NAN	NANT	0	0.98	AAS1
121	8i45-m9_A_G11_A12	NAN	NANT	0	0.98	AAS1
122	8i45-m10_A_A12_G13	AAA	AA00	23	0.34	AA00
123	8i45-m11_A_A12_G13	AAA	AA00	21	0.36	AA00
124	8i45-m1_A_A12_G13	AAA	AA00	23	0.35	AA00
125	8i45-m2_A_A12_G13	AAA	AA00	25	0.34	AA00
126	8i45-m3_A_A12_G13	AAA	AA00	23	0.34	AA00
127	8i45-m4_A_A12_G13	AAA	AA00	25	0.33	AA00
128	8i45-m5_A_A12_G13	AAA	AA00	23	0.34	AA00
129	8i45-m6_A_A12_G13	AAA	AA00	24	0.34	AA00
130	8i45-m7_A_A12_G13	AAA	AA00	24	0.33	AA00
131	8i45-m8_A_A12_G13	AAA	AA00	24	0.34	AA00
132	8i45-m9_A_A12_G13	AAA	AA00	24	0.34	AA00
133	8i45-m10_A_G13_C14	AAA	AA00	51	0.24	AA00
134	8i45-m11_A_G13_C14	AAA	AA00	65	0.20	AA00
135	8i45-m1_A_G13_C14	AAA	AA00	61	0.19	AA00
136	8i45-m2_A_G13_C14	AAA	AA00	58	0.18	AA00
137	8i45-m3_A_G13_C14	AAA	AA00	59	0.23	AA00
138	8i45-m4_A_G13_C14	AAA	AA00	68	0.17	AA00
139	8i45-m5_A_G13_C14	AAA	AA00	56	0.19	AA00
140	8i45-m6_A_G13_C14	AAA	AA00	56	0.19	AA00
141	8i45-m7_A_G13_C14	AAA	AA00	68	0.17	AA00
142	8i45-m8_A_G13_C14	AAA	AA00	59	0.19	AA00
143	8i45-m9_A_G13_C14	AAA	AA00	56	0.19	AA00
144	8i45-m10_A_C14_G15	NAN	NANT	0	0.88	AB2S
145	8i45-m11_A_C14_G15	NAN	NANT	0	1.38	AA04
146	8i45-m1_A_C14_G15	NAN	NANT	0	1.33	AA06
147	8i45-m2_A_C14_G15	NAN	NANT	0	1.09	AB2S
148	8i45-m3_A_C14_G15	NAN	NANT	0	0.90	AB2S
149	8i45-m4_A_C14_G15	NAN	NANT	0	1.33	AA06
150	8i45-m5_A_C14_G15	NAN	NANT	0	1.33	AA06
151	8i45-m6_A_C14_G15	NAN	NANT	0	1.33	AA06
152	8i45-m7_A_C14_G15	NAN	NANT	0	1.33	AA06
153	8i45-m8_A_C14_G15	NAN	NANT	0	1.04	AB2S
154	8i45-m9_A_C14_G15	NAN	NANT	0	1.33	AA06
155	8i45-m10_A_G15_G16	NAN	NANT	0	1.54	OP24
156	8i45-m11_A_G15_G16	NAN	NANT	0	1.68	OP24
157	8i45-m1_A_G15_G16	NAN	NANT	0	1.77	ZZS2
158	8i45-m2_A_G15_G16	NAN	NANT	0	1.05	AA11
159	8i45-m3_A_G15_G16	NAN	NANT	0	1.55	OP24
160	8i45-m4_A_G15_G16	NAN	NANT	0	1.76	ZZS2
161	8i45-m5_A_G15_G16	NAN	NANT	0	1.76	ZZS2
162	8i45-m6_A_G15_G16	NAN	NANT	0	1.76	ZZS2
163	8i45-m7_A_G15_G16	NAN	NANT	0	1.76	ZZS2
164	8i45-m8_A_G15_G16	NAN	NANT	0	1.61	OP24
165	8i45-m9_A_G15_G16	NAN	NANT	0	1.76	ZZS2
166	8i45-m10_A_G16_U17	AAA	AA00	41	0.36	AA00
167	8i45-m11_A_G16_U17	AAA	AA00	51	0.31	AA00
168	8i45-m1_A_G16_U17	AAA	AA00	62	0.24	AA00
169	8i45-m2_A_G16_U17	AAA	AA00	50	0.32	AA00
170	8i45-m3_A_G16_U17	AAA	AA00	46	0.36	AA00
171	8i45-m4_A_G16_U17	AAA	AA00	50	0.31	AA00
172	8i45-m5_A_G16_U17	AAA	AA00	50	0.32	AA00
173	8i45-m6_A_G16_U17	AAA	AA00	50	0.32	AA00
174	8i45-m7_A_G16_U17	AAA	AA00	58	0.28	AA00
175	8i45-m8_A_G16_U17	AAA	AA00	48	0.33	AA00
176	8i45-m9_A_G16_U17	AAA	AA00	58	0.29	AA00
177	8i45-m10_A_U17_C18	AAA	AA00	64	0.27	AA00
178	8i45-m11_A_U17_C18	AAA	AA00	60	0.26	AA00
179	8i45-m1_A_U17_C18	AAA	AA00	68	0.22	AA00
180	8i45-m2_A_U17_C18	AAA	AA00	58	0.27	AA00
181	8i45-m3_A_U17_C18	AAA	AA00	63	0.25	AA00
182	8i45-m4_A_U17_C18	AAA	AA00	56	0.27	AA00
183	8i45-m5_A_U17_C18	AAA	AA00	56	0.27	AA00
184	8i45-m6_A_U17_C18	AAA	AA00	56	0.27	AA00
185	8i45-m7_A_U17_C18	AAA	AA00	67	0.27	AA00
186	8i45-m8_A_U17_C18	AAA	AA00	66	0.27	AA00
187	8i45-m9_A_U17_C18	AAA	AA00	67	0.27	AA00
188	8i45-m10_A_C18_C19	A-B	AB05	46	0.37	AB05
189	8i45-m11_A_C18_C19	A-B	AB05	49	0.32	AB05
190	8i45-m1_A_C18_C19	A-B	AB05	49	0.32	AB05
191	8i45-m2_A_C18_C19	AAA	AA00	82	0.17	AA00
192	8i45-m3_A_C18_C19	A-B	AB05	49	0.32	AB05
193	8i45-m4_A_C18_C19	AAA	AA00	83	0.17	AA00
194	8i45-m5_A_C18_C19	AAA	AA00	83	0.17	AA00
195	8i45-m6_A_C18_C19	AAA	AA00	83	0.17	AA00
196	8i45-m7_A_C18_C19	A-B	AB05	46	0.38	AB05
197	8i45-m8_A_C18_C19	A-B	AB05	45	0.38	AB05
198	8i45-m9_A_C18_C19	A-B	AB05	46	0.38	AB05

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

Similarity of step to class averages

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A-B

B-A

B

IC

OPN

Z

N

Results of the assignment of 198 detected steps in 11 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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