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	8i43-m10_A_G1_G2	AAA	AA00	44	0.23	AA00
002	8i43-m11_A_G1_G2	AAA	AA00	50	0.21	AA00
003	8i43-m1_A_G1_G2	AAA	AA00	48	0.22	AA00
004	8i43-m2_A_G1_G2	AAA	AA00	50	0.21	AA00
005	8i43-m3_A_G1_G2	AAA	AA00	50	0.21	AA00
006	8i43-m4_A_G1_G2	AAA	AA00	44	0.23	AA00
007	8i43-m5_A_G1_G2	AAA	AA00	50	0.21	AA00
008	8i43-m6_A_G1_G2	AAA	AA00	21	0.25	AA00
009	8i43-m7_A_G1_G2	AAA	AA00	50	0.21	AA00
010	8i43-m8_A_G1_G2	AAA	AA00	44	0.23	AA00
011	8i43-m9_A_G1_G2	AAA	AA00	50	0.21	AA00
012	8i43-m10_A_G2_A3	AAA	AA00	74	0.28	AA00
013	8i43-m11_A_G2_A3	AAA	AA00	76	0.27	AA00
014	8i43-m1_A_G2_A3	AAA	AA00	77	0.27	AA00
015	8i43-m2_A_G2_A3	AAA	AA00	77	0.27	AA00
016	8i43-m3_A_G2_A3	AAA	AA00	75	0.27	AA00
017	8i43-m4_A_G2_A3	AAA	AA00	75	0.28	AA00
018	8i43-m5_A_G2_A3	AAA	AA00	77	0.26	AA00
019	8i43-m6_A_G2_A3	AAA	AA00	80	0.23	AA00
020	8i43-m7_A_G2_A3	AAA	AA00	76	0.27	AA00
021	8i43-m8_A_G2_A3	AAA	AA00	75	0.28	AA00
022	8i43-m9_A_G2_A3	AAA	AA00	77	0.27	AA00
023	8i43-m10_A_A3_C4	AAA	AA00	59	0.18	AA00
024	8i43-m11_A_A3_C4	AAA	AA00	58	0.19	AA00
025	8i43-m1_A_A3_C4	AAA	AA00	69	0.16	AA00
026	8i43-m2_A_A3_C4	AAA	AA00	59	0.18	AA00
027	8i43-m3_A_A3_C4	AAA	AA00	76	0.14	AA00
028	8i43-m4_A_A3_C4	AAA	AA00	58	0.19	AA00
029	8i43-m5_A_A3_C4	AAA	AA00	59	0.18	AA00
030	8i43-m6_A_A3_C4	AAA	AA00	62	0.18	AA00
031	8i43-m7_A_A3_C4	AAA	AA00	59	0.18	AA00
032	8i43-m8_A_A3_C4	AAA	AA00	58	0.19	AA00
033	8i43-m9_A_A3_C4	AAA	AA00	58	0.19	AA00
034	8i43-m10_A_C4_G5	NAN	NANT	0	1.08	OP08
035	8i43-m11_A_C4_G5	NAN	NANT	0	1.08	OP08
036	8i43-m1_A_C4_G5	NAN	NANT	0	1.06	OP08
037	8i43-m2_A_C4_G5	NAN	NANT	0	1.08	OP08
038	8i43-m3_A_C4_G5	NAN	NANT	0	1.10	OP08
039	8i43-m4_A_C4_G5	NAN	NANT	0	1.07	OP08
040	8i43-m5_A_C4_G5	NAN	NANT	0	1.07	OP08
041	8i43-m6_A_C4_G5	NAN	NANT	0	1.07	OP08
042	8i43-m7_A_C4_G5	NAN	NANT	0	1.08	OP08
043	8i43-m8_A_C4_G5	NAN	NANT	0	1.07	OP08
044	8i43-m9_A_C4_G5	NAN	NANT	0	1.07	OP08
045	8i43-m10_A_G5_C6	AAA	AA00	74	0.18	AA00
046	8i43-m11_A_G5_C6	AAA	AA00	66	0.20	AA00
047	8i43-m1_A_G5_C6	AAA	AA00	78	0.18	AA00
048	8i43-m2_A_G5_C6	AAA	AA00	74	0.18	AA00
049	8i43-m3_A_G5_C6	AAA	AA00	81	0.17	AA00
050	8i43-m4_A_G5_C6	AAA	AA00	73	0.18	AA00
051	8i43-m5_A_G5_C6	AAA	AA00	74	0.18	AA00
052	8i43-m6_A_G5_C6	AAA	AA00	73	0.18	AA00
053	8i43-m7_A_G5_C6	AAA	AA00	72	0.19	AA00
054	8i43-m8_A_G5_C6	AAA	AA00	73	0.18	AA00
055	8i43-m9_A_G5_C6	AAA	AA00	74	0.18	AA00
056	8i43-m10_A_C6_U7	AAA	AA00	64	0.30	AA00
057	8i43-m11_A_C6_U7	AAA	AA00	80	0.29	AA00
058	8i43-m1_A_C6_U7	AAA	AA00	67	0.28	AA00
059	8i43-m2_A_C6_U7	AAA	AA00	70	0.28	AA00
060	8i43-m3_A_C6_U7	AAA	AA00	74	0.28	AA00
061	8i43-m4_A_C6_U7	AAA	AA00	68	0.28	AA00
062	8i43-m5_A_C6_U7	AAA	AA00	70	0.28	AA00
063	8i43-m6_A_C6_U7	AAA	AA00	69	0.29	AA00
064	8i43-m7_A_C6_U7	AAA	AA00	72	0.29	AA00
065	8i43-m8_A_C6_U7	AAA	AA00	71	0.28	AA00
066	8i43-m9_A_C6_U7	AAA	AA00	70	0.28	AA00
067	8i43-m10_A_U7_U8	AAw	AA01	74	0.23	AA01
068	8i43-m11_A_U7_U8	AAw	AA01	61	0.25	AA01
069	8i43-m1_A_U7_U8	NAN	NANT	0	0.65	AA05
070	8i43-m2_A_U7_U8	AAw	AA01	76	0.18	AA01
071	8i43-m3_A_U7_U8	AAw	AA01	66	0.21	AA01
072	8i43-m4_A_U7_U8	NAN	NANT	0	0.67	AA05
073	8i43-m5_A_U7_U8	AAw	AA01	76	0.18	AA01
074	8i43-m6_A_U7_U8	NAN	NANT	0	0.34	AA01
075	8i43-m7_A_U7_U8	AAw	AA01	65	0.21	AA01
076	8i43-m8_A_U7_U8	NAN	NANT	0	0.69	AA06
077	8i43-m9_A_U7_U8	AAw	AA01	76	0.18	AA01
078	8i43-m10_A_U8_U9	OPN	OP09	38	0.24	OP09
079	8i43-m11_A_U8_U9	NAN	NANT	0	1.46	OP18
080	8i43-m1_A_U8_U9	OPN	OP09	45	0.23	OP09
081	8i43-m2_A_U8_U9	OPN	OP09	40	0.24	OP09
082	8i43-m3_A_U8_U9	NAN	NANT	0	1.49	OP18
083	8i43-m4_A_U8_U9	OPN	OP09	48	0.22	OP09
084	8i43-m5_A_U8_U9	OPN	OP09	39	0.24	OP09
085	8i43-m6_A_U8_U9	OPN	OP09	29	0.28	OP09
086	8i43-m7_A_U8_U9	OPN	OP09	35	0.24	OP09
087	8i43-m8_A_U8_U9	NAN	NANT	0	0.83	OP04
088	8i43-m9_A_U8_U9	OPN	OP09	40	0.24	OP09
089	8i43-m10_A_U9_C10	OPN	OP20	28	0.60	OP20
090	8i43-m11_A_U9_C10	OPN	OP20	36	0.52	OP20
091	8i43-m1_A_U9_C10	OPN	OP20	37	0.55	OP20
092	8i43-m2_A_U9_C10	NAN	NANT	0	0.70	OP20
093	8i43-m3_A_U9_C10	OPN	OP20	38	0.52	OP20
094	8i43-m4_A_U9_C10	OPN	OP20	29	0.59	OP20
095	8i43-m5_A_U9_C10	NAN	NANT	0	0.70	OP20
096	8i43-m6_A_U9_C10	NAN	NANT	0	0.64	OP20
097	8i43-m7_A_U9_C10	OPN	OP20	29	0.59	OP20
098	8i43-m8_A_U9_C10	OPN	OP20	32	0.62	OP20
099	8i43-m9_A_U9_C10	NAN	NANT	0	0.70	OP20
100	8i43-m10_A_C10_G11	NAN	NANT	0	0.51	ZZ1S
101	8i43-m11_A_C10_G11	NAN	NANT	0	0.55	ZZ1S
102	8i43-m1_A_C10_G11	ZZZ	ZZ1S	8	0.51	ZZ1S
103	8i43-m2_A_C10_G11	NAN	NANT	0	0.49	ZZ1S
104	8i43-m3_A_C10_G11	NAN	NANT	0	0.55	ZZ1S
105	8i43-m4_A_C10_G11	NAN	NANT	0	0.50	ZZ1S
106	8i43-m5_A_C10_G11	NAN	NANT	0	0.49	ZZ1S
107	8i43-m6_A_C10_G11	NAN	NANT	0	0.47	ZZ1S
108	8i43-m7_A_C10_G11	NAN	NANT	0	0.50	ZZ1S
109	8i43-m8_A_C10_G11	NAN	NANT	0	0.53	ZZ1S
110	8i43-m9_A_C10_G11	NAN	NANT	0	0.49	ZZ1S
111	8i43-m10_A_G11_A12	NAN	NANT	0	0.62	AA05
112	8i43-m11_A_G11_A12	NAN	NANT	0	0.93	AAS1
113	8i43-m1_A_G11_A12	NAN	NANT	0	0.60	AA05
114	8i43-m2_A_G11_A12	NAN	NANT	0	0.62	AA05
115	8i43-m3_A_G11_A12	NAN	NANT	0	0.52	AA05
116	8i43-m4_A_G11_A12	NAN	NANT	0	0.61	AA05
117	8i43-m5_A_G11_A12	NAN	NANT	0	0.62	AA05
118	8i43-m6_A_G11_A12	NAN	NANT	0	0.63	AA05
119	8i43-m7_A_G11_A12	NAN	NANT	0	1.01	AAS1
120	8i43-m8_A_G11_A12	NAN	NANT	0	0.58	AA05
121	8i43-m9_A_G11_A12	NAN	NANT	0	0.62	AA05
122	8i43-m10_A_A12_G13	AAA	AA00	70	0.25	AA00
123	8i43-m11_A_A12_G13	AAA	AA00	78	0.19	AA00
124	8i43-m1_A_A12_G13	AAA	AA00	76	0.21	AA00
125	8i43-m2_A_A12_G13	AAA	AA00	77	0.21	AA00
126	8i43-m3_A_A12_G13	AAA	AA00	80	0.19	AA00
127	8i43-m4_A_A12_G13	AAA	AA00	70	0.25	AA00
128	8i43-m5_A_A12_G13	AAA	AA00	77	0.21	AA00
129	8i43-m6_A_A12_G13	AAA	AA00	79	0.20	AA00
130	8i43-m7_A_A12_G13	AAA	AA00	75	0.22	AA00
131	8i43-m8_A_A12_G13	AAA	AA00	77	0.22	AA00
132	8i43-m9_A_A12_G13	AAA	AA00	77	0.21	AA00
133	8i43-m10_A_G13_C14	AAA	AA00	16	0.40	AA00
134	8i43-m11_A_G13_C14	AAA	AA00	17	0.39	AA00
135	8i43-m1_A_G13_C14	AAA	AA00	15	0.40	AA00
136	8i43-m2_A_G13_C14	AAA	AA00	17	0.39	AA00
137	8i43-m3_A_G13_C14	AAA	AA00	31	0.33	AA00
138	8i43-m4_A_G13_C14	AAA	AA00	18	0.39	AA00
139	8i43-m5_A_G13_C14	AAA	AA00	17	0.39	AA00
140	8i43-m6_A_G13_C14	AAA	AA00	17	0.39	AA00
141	8i43-m7_A_G13_C14	AAA	AA00	16	0.40	AA00
142	8i43-m8_A_G13_C14	AAA	AA00	18	0.39	AA00
143	8i43-m9_A_G13_C14	AAA	AA00	18	0.39	AA00
144	8i43-m10_A_C14_C15	NAN	NANT	0	0.85	IC03
145	8i43-m11_A_C14_C15	NAN	NANT	0	0.85	IC03
146	8i43-m1_A_C14_C15	NAN	NANT	0	0.85	IC03
147	8i43-m2_A_C14_C15	NAN	NANT	0	0.85	IC03
148	8i43-m3_A_C14_C15	NAN	NANT	0	0.77	IC03
149	8i43-m4_A_C14_C15	NAN	NANT	0	0.85	IC03
150	8i43-m5_A_C14_C15	NAN	NANT	0	0.85	IC03
151	8i43-m6_A_C14_C15	NAN	NANT	0	0.85	IC03
152	8i43-m7_A_C14_C15	NAN	NANT	0	0.85	IC03
153	8i43-m8_A_C14_C15	NAN	NANT	0	0.85	IC03
154	8i43-m9_A_C14_C15	NAN	NANT	0	0.85	IC03
155	8i43-m10_A_C15_G16	NAN	NANT	0	1.09	BA16
156	8i43-m11_A_C15_G16	NAN	NANT	0	1.09	BA16
157	8i43-m1_A_C15_G16	NAN	NANT	0	1.09	BA16
158	8i43-m2_A_C15_G16	NAN	NANT	0	1.09	BA16
159	8i43-m3_A_C15_G16	NAN	NANT	0	1.40	OP27
160	8i43-m4_A_C15_G16	NAN	NANT	0	1.09	BA16
161	8i43-m5_A_C15_G16	NAN	NANT	0	1.09	BA16
162	8i43-m6_A_C15_G16	NAN	NANT	0	1.09	BA16
163	8i43-m7_A_C15_G16	NAN	NANT	0	1.09	BA16
164	8i43-m8_A_C15_G16	NAN	NANT	0	1.09	BA16
165	8i43-m9_A_C15_G16	NAN	NANT	0	1.09	BA16
166	8i43-m10_A_G16_U17	AAA	AA00	42	0.31	AA00
167	8i43-m11_A_G16_U17	AAA	AA00	36	0.33	AA00
168	8i43-m1_A_G16_U17	AAA	AA00	30	0.35	AA00
169	8i43-m2_A_G16_U17	AAA	AA00	39	0.32	AA00
170	8i43-m3_A_G16_U17	AAA	AA00	70	0.23	AA00
171	8i43-m4_A_G16_U17	AAA	AA00	41	0.30	AA00
172	8i43-m5_A_G16_U17	AAA	AA00	40	0.31	AA00
173	8i43-m6_A_G16_U17	AAA	AA00	37	0.32	AA00
174	8i43-m7_A_G16_U17	AAA	AA00	39	0.32	AA00
175	8i43-m8_A_G16_U17	AAA	AA00	40	0.31	AA00
176	8i43-m9_A_G16_U17	AAA	AA00	37	0.32	AA00
177	8i43-m10_A_U17_C18	AAA	AA00	52	0.21	AA00
178	8i43-m11_A_U17_C18	AAA	AA00	61	0.22	AA00
179	8i43-m1_A_U17_C18	AAA	AA00	63	0.21	AA00
180	8i43-m2_A_U17_C18	AAA	AA00	61	0.22	AA00
181	8i43-m3_A_U17_C18	AAA	AA00	62	0.21	AA00
182	8i43-m4_A_U17_C18	AAA	AA00	51	0.22	AA00
183	8i43-m5_A_U17_C18	AAA	AA00	59	0.22	AA00
184	8i43-m6_A_U17_C18	AAA	AA00	73	0.26	AA00
185	8i43-m7_A_U17_C18	AAA	AA00	61	0.22	AA00
186	8i43-m8_A_U17_C18	AAA	AA00	52	0.22	AA00
187	8i43-m9_A_U17_C18	AAA	AA00	61	0.22	AA00
188	8i43-m10_A_C18_C19	AAA	AA00	20	0.47	AA00
189	8i43-m11_A_C18_C19	A-B	AB05	51	0.25	AB05
190	8i43-m1_A_C18_C19	A-B	AB05	51	0.24	AB05
191	8i43-m2_A_C18_C19	A-B	AB05	52	0.25	AB05
192	8i43-m3_A_C18_C19	A-B	AB05	52	0.25	AB05
193	8i43-m4_A_C18_C19	AAA	AA00	20	0.47	AA00
194	8i43-m5_A_C18_C19	A-B	AB05	51	0.25	AB05
195	8i43-m6_A_C18_C19	AAA	AA00	17	0.34	AA00
196	8i43-m7_A_C18_C19	A-B	AB05	51	0.25	AB05
197	8i43-m8_A_C18_C19	AAA	AA00	20	0.47	AA00
198	8i43-m9_A_C18_C19	A-B	AB05	52	0.25	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

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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