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	8i46-m10_A_G1_G2	AAA	AA04	23	0.30	AA04
002	8i46-m11_A_G1_G2	AAA	AA04	23	0.30	AA04
003	8i46-m1_A_G1_G2	AAA	AA04	24	0.32	AA04
004	8i46-m2_A_G1_G2	AAA	AA04	23	0.30	AA04
005	8i46-m3_A_G1_G2	AAA	AA04	23	0.30	AA04
006	8i46-m4_A_G1_G2	AAA	AA04	23	0.30	AA04
007	8i46-m5_A_G1_G2	AAA	AA04	23	0.30	AA04
008	8i46-m6_A_G1_G2	AAA	AA04	23	0.30	AA04
009	8i46-m7_A_G1_G2	AAA	AA04	24	0.30	AA04
010	8i46-m8_A_G1_G2	AAA	AA04	23	0.30	AA04
011	8i46-m9_A_G1_G2	AAA	AA04	24	0.30	AA04
012	8i46-m10_A_G2_A3	AAA	AA00	41	0.34	AA00
013	8i46-m11_A_G2_A3	AAA	AA00	42	0.34	AA00
014	8i46-m1_A_G2_A3	AAA	AA00	41	0.34	AA00
015	8i46-m2_A_G2_A3	AAA	AA00	42	0.34	AA00
016	8i46-m3_A_G2_A3	AAA	AA00	42	0.34	AA00
017	8i46-m4_A_G2_A3	AAA	AA00	41	0.34	AA00
018	8i46-m5_A_G2_A3	AAA	AA00	42	0.34	AA00
019	8i46-m6_A_G2_A3	AAA	AA00	41	0.35	AA00
020	8i46-m7_A_G2_A3	AAA	AA00	41	0.35	AA00
021	8i46-m8_A_G2_A3	AAA	AA00	42	0.34	AA00
022	8i46-m9_A_G2_A3	AAA	AA00	41	0.35	AA00
023	8i46-m10_A_A3_U4	AAA	AA00	64	0.23	AA00
024	8i46-m11_A_A3_U4	AAA	AA00	60	0.23	AA00
025	8i46-m1_A_A3_U4	AAA	AA00	59	0.23	AA00
026	8i46-m2_A_A3_U4	AAA	AA00	59	0.23	AA00
027	8i46-m3_A_A3_U4	AAA	AA00	59	0.23	AA00
028	8i46-m4_A_A3_U4	AAA	AA00	59	0.23	AA00
029	8i46-m5_A_A3_U4	AAA	AA00	59	0.23	AA00
030	8i46-m6_A_A3_U4	AAA	AA00	61	0.24	AA00
031	8i46-m7_A_A3_U4	AAA	AA00	62	0.24	AA00
032	8i46-m8_A_A3_U4	AAA	AA00	59	0.23	AA00
033	8i46-m9_A_A3_U4	AAA	AA00	64	0.24	AA00
034	8i46-m10_A_U4_G5	NAN	NANT	0	0.49	IC03
035	8i46-m11_A_U4_G5	NAN	NANT	0	0.82	AA12
036	8i46-m1_A_U4_G5	NAN	NANT	0	0.81	AA12
037	8i46-m2_A_U4_G5	NAN	NANT	0	0.81	AA12
038	8i46-m3_A_U4_G5	NAN	NANT	0	0.81	AA12
039	8i46-m4_A_U4_G5	NAN	NANT	0	0.77	AA12
040	8i46-m5_A_U4_G5	NAN	NANT	0	0.77	AA12
041	8i46-m6_A_U4_G5	NAN	NANT	0	0.48	IC03
042	8i46-m7_A_U4_G5	NAN	NANT	0	0.48	IC03
043	8i46-m8_A_U4_G5	NAN	NANT	0	0.83	AA12
044	8i46-m9_A_U4_G5	NAN	NANT	0	0.48	IC03
045	8i46-m10_A_G5_C6	AAA	AA00	26	0.32	AA00
046	8i46-m11_A_G5_C6	AAA	AA00	30	0.29	AA00
047	8i46-m1_A_G5_C6	AAA	AA00	24	0.30	AA00
048	8i46-m2_A_G5_C6	AAA	AA00	29	0.29	AA00
049	8i46-m3_A_G5_C6	AAA	AA00	32	0.28	AA00
050	8i46-m4_A_G5_C6	AAA	AA00	29	0.28	AA00
051	8i46-m5_A_G5_C6	AAA	AA00	28	0.29	AA00
052	8i46-m6_A_G5_C6	AAA	AA00	27	0.32	AA00
053	8i46-m7_A_G5_C6	AAA	AA00	29	0.31	AA00
054	8i46-m8_A_G5_C6	AAA	AA00	28	0.28	AA00
055	8i46-m9_A_G5_C6	AAA	AA04	52	0.26	AA04
056	8i46-m10_A_C6_U7	AAA	AA00	54	0.29	AA00
057	8i46-m11_A_C6_U7	AAA	AA00	59	0.28	AA00
058	8i46-m1_A_C6_U7	AAA	AA00	59	0.27	AA00
059	8i46-m2_A_C6_U7	AAA	AA00	57	0.28	AA00
060	8i46-m3_A_C6_U7	AAA	AA00	57	0.28	AA00
061	8i46-m4_A_C6_U7	AAA	AA00	57	0.28	AA00
062	8i46-m5_A_C6_U7	AAA	AA00	57	0.28	AA00
063	8i46-m6_A_C6_U7	AAA	AA00	55	0.29	AA00
064	8i46-m7_A_C6_U7	AAA	AA00	56	0.29	AA00
065	8i46-m8_A_C6_U7	AAA	AA00	66	0.26	AA00
066	8i46-m9_A_C6_U7	AAA	AA00	66	0.26	AA00
067	8i46-m10_A_U7_U8	AAA	AA04	44	0.51	AA04
068	8i46-m11_A_U7_U8	AAA	AA04	45	0.49	AA04
069	8i46-m1_A_U7_U8	AAA	AA04	41	0.54	AA04
070	8i46-m2_A_U7_U8	AAA	AA04	44	0.51	AA04
071	8i46-m3_A_U7_U8	AAA	AA04	45	0.51	AA04
072	8i46-m4_A_U7_U8	AAA	AA04	46	0.49	AA04
073	8i46-m5_A_U7_U8	AAA	AA04	46	0.49	AA04
074	8i46-m6_A_U7_U8	AAA	AA04	44	0.51	AA04
075	8i46-m7_A_U7_U8	AAA	AA04	44	0.51	AA04
076	8i46-m8_A_U7_U8	AAA	AA04	47	0.48	AA04
077	8i46-m9_A_U7_U8	AAA	AA04	45	0.51	AA04
078	8i46-m10_A_U8_U9	NAN	NANT	0	0.35	OP09
079	8i46-m11_A_U8_U9	NAN	NANT	0	1.78	OP29
080	8i46-m1_A_U8_U9	NAN	NANT	0	0.36	OP09
081	8i46-m2_A_U8_U9	NAN	NANT	0	0.35	OP09
082	8i46-m3_A_U8_U9	NAN	NANT	0	0.35	OP09
083	8i46-m4_A_U8_U9	NAN	NANT	0	0.35	OP09
084	8i46-m5_A_U8_U9	NAN	NANT	0	0.35	OP09
085	8i46-m6_A_U8_U9	NAN	NANT	0	0.35	OP09
086	8i46-m7_A_U8_U9	NAN	NANT	0	0.35	OP09
087	8i46-m8_A_U8_U9	NAN	NANT	0	0.35	OP09
088	8i46-m9_A_U8_U9	NAN	NANT	0	0.35	OP09
089	8i46-m10_A_U9_C10	NAN	NANT	0	1.43	AB04
090	8i46-m11_A_U9_C10	NAN	NANT	0	1.50	AB04
091	8i46-m1_A_U9_C10	NAN	NANT	0	1.43	AB04
092	8i46-m2_A_U9_C10	NAN	NANT	0	1.43	AB04
093	8i46-m3_A_U9_C10	NAN	NANT	0	1.43	AB04
094	8i46-m4_A_U9_C10	NAN	NANT	0	1.43	AB04
095	8i46-m5_A_U9_C10	NAN	NANT	0	1.43	AB04
096	8i46-m6_A_U9_C10	NAN	NANT	0	1.43	AB04
097	8i46-m7_A_U9_C10	NAN	NANT	0	1.43	AB04
098	8i46-m8_A_U9_C10	NAN	NANT	0	1.43	AB04
099	8i46-m9_A_U9_C10	NAN	NANT	0	1.43	AB04
100	8i46-m10_A_C10_G11	NAN	NANT	0	0.49	ZZ1S
101	8i46-m11_A_C10_G11	NAN	NANT	0	0.49	ZZ1S
102	8i46-m1_A_C10_G11	NAN	NANT	0	0.49	ZZ1S
103	8i46-m2_A_C10_G11	NAN	NANT	0	0.49	ZZ1S
104	8i46-m3_A_C10_G11	NAN	NANT	0	0.49	ZZ1S
105	8i46-m4_A_C10_G11	NAN	NANT	0	0.50	ZZ1S
106	8i46-m5_A_C10_G11	NAN	NANT	0	0.50	ZZ1S
107	8i46-m6_A_C10_G11	NAN	NANT	0	0.49	ZZ1S
108	8i46-m7_A_C10_G11	NAN	NANT	0	0.49	ZZ1S
109	8i46-m8_A_C10_G11	NAN	NANT	0	0.50	ZZ1S
110	8i46-m9_A_C10_G11	NAN	NANT	0	0.49	ZZ1S
111	8i46-m10_A_G11_A12	NAN	NANT	0	0.47	AA05
112	8i46-m11_A_G11_A12	NAN	NANT	0	0.46	AA05
113	8i46-m1_A_G11_A12	NAN	NANT	0	0.47	AA05
114	8i46-m2_A_G11_A12	NAN	NANT	0	0.47	AA05
115	8i46-m3_A_G11_A12	NAN	NANT	0	0.47	AA05
116	8i46-m4_A_G11_A12	SYN	AAS1	17	0.71	AAS1
117	8i46-m5_A_G11_A12	SYN	AAS1	17	0.72	AAS1
118	8i46-m6_A_G11_A12	NAN	NANT	0	0.47	AA05
119	8i46-m7_A_G11_A12	NAN	NANT	0	0.47	AA05
120	8i46-m8_A_G11_A12	SYN	AAS1	15	0.73	AAS1
121	8i46-m9_A_G11_A12	NAN	NANT	0	0.47	AA05
122	8i46-m10_A_A12_G13	NAN	NANT	0	0.65	AA12
123	8i46-m11_A_A12_G13	AAA	AA00	5	0.50	AA00
124	8i46-m1_A_A12_G13	NAN	NANT	0	0.65	AA12
125	8i46-m2_A_A12_G13	NAN	NANT	0	0.65	AA12
126	8i46-m3_A_A12_G13	AAA	AA00	6	0.49	AA00
127	8i46-m4_A_A12_G13	AAA	AA00	19	0.40	AA00
128	8i46-m5_A_A12_G13	AAA	AA00	18	0.41	AA00
129	8i46-m6_A_A12_G13	NAN	NANT	0	0.65	AA12
130	8i46-m7_A_A12_G13	AAA	AA00	5	0.50	AA00
131	8i46-m8_A_A12_G13	AAA	AA00	20	0.39	AA00
132	8i46-m9_A_A12_G13	NAN	NANT	0	0.65	AA12
133	8i46-m10_A_G13_C14	AAA	AA00	50	0.23	AA00
134	8i46-m11_A_G13_C14	AAA	AA00	54	0.22	AA00
135	8i46-m1_A_G13_C14	AAA	AA00	51	0.24	AA00
136	8i46-m2_A_G13_C14	AAA	AA00	53	0.23	AA00
137	8i46-m3_A_G13_C14	AAA	AA00	58	0.21	AA00
138	8i46-m4_A_G13_C14	AAA	AA00	57	0.21	AA00
139	8i46-m5_A_G13_C14	AAA	AA00	53	0.23	AA00
140	8i46-m6_A_G13_C14	AAA	AA00	55	0.21	AA00
141	8i46-m7_A_G13_C14	AAA	AA00	56	0.21	AA00
142	8i46-m8_A_G13_C14	AAA	AA00	62	0.20	AA00
143	8i46-m9_A_G13_C14	AAA	AA00	53	0.23	AA00
144	8i46-m10_A_C14_G15	NAN	NANT	0	0.92	AB2S
145	8i46-m11_A_C14_G15	NAN	NANT	0	1.14	AA06
146	8i46-m1_A_C14_G15	NAN	NANT	0	1.14	AA06
147	8i46-m2_A_C14_G15	NAN	NANT	0	1.14	AA06
148	8i46-m3_A_C14_G15	NAN	NANT	0	1.14	AA06
149	8i46-m4_A_C14_G15	NAN	NANT	0	1.10	AB2S
150	8i46-m5_A_C14_G15	NAN	NANT	0	1.11	AB2S
151	8i46-m6_A_C14_G15	NAN	NANT	0	1.12	AA06
152	8i46-m7_A_C14_G15	NAN	NANT	0	1.12	AA06
153	8i46-m8_A_C14_G15	NAN	NANT	0	1.13	AA06
154	8i46-m9_A_C14_G15	NAN	NANT	0	1.11	AB2S
155	8i46-m10_A_G15_A16	NAN	NANT	0	1.15	AA11
156	8i46-m11_A_G15_A16	NAN	NANT	0	1.16	AA11
157	8i46-m1_A_G15_A16	NAN	NANT	0	1.13	AA11
158	8i46-m2_A_G15_A16	NAN	NANT	0	1.15	AA11
159	8i46-m3_A_G15_A16	NAN	NANT	0	1.16	AA11
160	8i46-m4_A_G15_A16	NAN	NANT	0	1.07	AA11
161	8i46-m5_A_G15_A16	NAN	NANT	0	1.07	AA11
162	8i46-m6_A_G15_A16	NAN	NANT	0	1.15	AA11
163	8i46-m7_A_G15_A16	NAN	NANT	0	1.16	AA11
164	8i46-m8_A_G15_A16	NAN	NANT	0	1.14	AA11
165	8i46-m9_A_G15_A16	NAN	NANT	0	1.07	AA11
166	8i46-m10_A_A16_U17	AAA	AA00	47	0.33	AA00
167	8i46-m11_A_A16_U17	AAA	AA00	44	0.34	AA00
168	8i46-m1_A_A16_U17	AAA	AA00	48	0.32	AA00
169	8i46-m2_A_A16_U17	AAA	AA00	45	0.34	AA00
170	8i46-m3_A_A16_U17	AAA	AA00	45	0.34	AA00
171	8i46-m4_A_A16_U17	AAA	AA00	45	0.33	AA00
172	8i46-m5_A_A16_U17	AAA	AA00	46	0.33	AA00
173	8i46-m6_A_A16_U17	AAA	AA00	48	0.33	AA00
174	8i46-m7_A_A16_U17	AAA	AA00	48	0.33	AA00
175	8i46-m8_A_A16_U17	AAA	AA00	43	0.34	AA00
176	8i46-m9_A_A16_U17	AAA	AA00	50	0.32	AA00
177	8i46-m10_A_U17_C18	AAA	AA00	41	0.34	AA00
178	8i46-m11_A_U17_C18	AAA	AA00	42	0.34	AA00
179	8i46-m1_A_U17_C18	AAA	AA00	43	0.33	AA00
180	8i46-m2_A_U17_C18	AAA	AA00	43	0.34	AA00
181	8i46-m3_A_U17_C18	AAA	AA00	42	0.34	AA00
182	8i46-m4_A_U17_C18	AAA	AA00	42	0.34	AA00
183	8i46-m5_A_U17_C18	AAA	AA00	42	0.34	AA00
184	8i46-m6_A_U17_C18	AAA	AA00	41	0.34	AA00
185	8i46-m7_A_U17_C18	AAA	AA00	40	0.35	AA00
186	8i46-m8_A_U17_C18	AAA	AA00	43	0.33	AA00
187	8i46-m9_A_U17_C18	AAA	AA00	38	0.36	AA00
188	8i46-m10_A_C18_C19	AAA	AA08	23	0.52	AA08
189	8i46-m11_A_C18_C19	AAA	AA08	23	0.52	AA08
190	8i46-m1_A_C18_C19	AAA	AA08	22	0.52	AA08
191	8i46-m2_A_C18_C19	AAA	AA08	23	0.52	AA08
192	8i46-m3_A_C18_C19	AAA	AA08	23	0.52	AA08
193	8i46-m4_A_C18_C19	AAA	AA08	23	0.52	AA08
194	8i46-m5_A_C18_C19	AAA	AA08	23	0.52	AA08
195	8i46-m6_A_C18_C19	AAA	AA08	23	0.52	AA08
196	8i46-m7_A_C18_C19	AAA	AA08	22	0.52	AA08
197	8i46-m8_A_C18_C19	AAA	AA08	23	0.52	AA08
198	8i46-m9_A_C18_C19	AAA	AA08	22	0.52	AA08

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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