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	8i44-m10_A_G1_G2	AAA	AA00	65	0.21	AA00
002	8i44-m11_A_G1_G2	AAA	AA00	65	0.21	AA00
003	8i44-m1_A_G1_G2	AAA	AA00	65	0.21	AA00
004	8i44-m2_A_G1_G2	AAA	AA00	66	0.21	AA00
005	8i44-m3_A_G1_G2	AAA	AA00	65	0.21	AA00
006	8i44-m4_A_G1_G2	AAA	AA00	65	0.21	AA00
007	8i44-m5_A_G1_G2	AAA	AA00	59	0.23	AA00
008	8i44-m6_A_G1_G2	AAA	AA00	65	0.21	AA00
009	8i44-m7_A_G1_G2	AAA	AA00	65	0.21	AA00
010	8i44-m8_A_G1_G2	AAA	AA00	65	0.21	AA00
011	8i44-m9_A_G1_G2	AAA	AA00	65	0.21	AA00
012	8i44-m10_A_G2_A3	AAA	AA00	75	0.18	AA00
013	8i44-m11_A_G2_A3	AAA	AA00	75	0.17	AA00
014	8i44-m1_A_G2_A3	AAA	AA00	70	0.19	AA00
015	8i44-m2_A_G2_A3	AAA	AA00	72	0.18	AA00
016	8i44-m3_A_G2_A3	AAA	AA00	76	0.17	AA00
017	8i44-m4_A_G2_A3	AAA	AA00	74	0.18	AA00
018	8i44-m5_A_G2_A3	AAA	AA00	54	0.28	AA00
019	8i44-m6_A_G2_A3	AAA	AA00	75	0.18	AA00
020	8i44-m7_A_G2_A3	AAA	AA00	76	0.18	AA00
021	8i44-m8_A_G2_A3	AAA	AA00	75	0.18	AA00
022	8i44-m9_A_G2_A3	AAA	AA00	75	0.18	AA00
023	8i44-m10_A_A3_U4	AAA	AA00	44	0.22	AA00
024	8i44-m11_A_A3_U4	AAA	AA08	65	0.24	AA08
025	8i44-m1_A_A3_U4	AAA	AA00	44	0.20	AA00
026	8i44-m2_A_A3_U4	AAA	AA00	45	0.20	AA00
027	8i44-m3_A_A3_U4	AAA	AA08	62	0.24	AA08
028	8i44-m4_A_A3_U4	AAA	AA00	45	0.21	AA00
029	8i44-m5_A_A3_U4	AAA	AA00	43	0.21	AA00
030	8i44-m6_A_A3_U4	AAA	AA08	62	0.26	AA08
031	8i44-m7_A_A3_U4	AAA	AA08	62	0.26	AA08
032	8i44-m8_A_A3_U4	AAA	AA08	64	0.24	AA08
033	8i44-m9_A_A3_U4	AAA	AA00	45	0.22	AA00
034	8i44-m10_A_U4_G5	NAN	NANT	0	0.54	IC04
035	8i44-m11_A_U4_G5	NAN	NANT	0	0.87	AA06
036	8i44-m1_A_U4_G5	NAN	NANT	0	1.00	IC07
037	8i44-m2_A_U4_G5	NAN	NANT	0	0.99	IC07
038	8i44-m3_A_U4_G5	NAN	NANT	0	0.94	AA06
039	8i44-m4_A_U4_G5	NAN	NANT	0	0.94	IC07
040	8i44-m5_A_U4_G5	NAN	NANT	0	0.99	IC07
041	8i44-m6_A_U4_G5	NAN	NANT	0	1.01	IC07
042	8i44-m7_A_U4_G5	NAN	NANT	0	0.51	IC04
043	8i44-m8_A_U4_G5	NAN	NANT	0	0.93	IC07
044	8i44-m9_A_U4_G5	NAN	NANT	0	0.48	IC04
045	8i44-m10_A_G5_C6	AAA	AA00	74	0.20	AA00
046	8i44-m11_A_G5_C6	AAA	AA00	75	0.18	AA00
047	8i44-m1_A_G5_C6	AAA	AA00	78	0.19	AA00
048	8i44-m2_A_G5_C6	AAA	AA00	83	0.15	AA00
049	8i44-m3_A_G5_C6	AAA	AA00	81	0.16	AA00
050	8i44-m4_A_G5_C6	AAA	AA00	79	0.18	AA00
051	8i44-m5_A_G5_C6	AAA	AA00	83	0.15	AA00
052	8i44-m6_A_G5_C6	AAA	AA00	74	0.20	AA00
053	8i44-m7_A_G5_C6	AAA	AA00	73	0.19	AA00
054	8i44-m8_A_G5_C6	AAA	AA00	76	0.20	AA00
055	8i44-m9_A_G5_C6	AAA	AA00	79	0.17	AA00
056	8i44-m10_A_C6_U7	AAA	AA00	69	0.19	AA00
057	8i44-m11_A_C6_U7	AAA	AA00	71	0.19	AA00
058	8i44-m1_A_C6_U7	AAA	AA00	69	0.18	AA00
059	8i44-m2_A_C6_U7	AAA	AA00	77	0.17	AA00
060	8i44-m3_A_C6_U7	AAA	AA00	77	0.17	AA00
061	8i44-m4_A_C6_U7	AAA	AA00	77	0.17	AA00
062	8i44-m5_A_C6_U7	AAA	AA00	74	0.17	AA00
063	8i44-m6_A_C6_U7	AAA	AA00	74	0.18	AA00
064	8i44-m7_A_C6_U7	AAA	AA00	78	0.17	AA00
065	8i44-m8_A_C6_U7	AAA	AA00	76	0.18	AA00
066	8i44-m9_A_C6_U7	AAA	AA00	80	0.15	AA00
067	8i44-m10_A_U7_U8	AAw	AA01	41	0.33	AA01
068	8i44-m11_A_U7_U8	AAw	AA01	46	0.29	AA01
069	8i44-m1_A_U7_U8	NAN	NANT	0	0.56	AA01
070	8i44-m2_A_U7_U8	NAN	NANT	0	0.59	AA01
071	8i44-m3_A_U7_U8	NAN	NANT	0	0.75	AA05
072	8i44-m4_A_U7_U8	NAN	NANT	0	0.84	AA05
073	8i44-m5_A_U7_U8	AAw	AA01	44	0.30	AA01
074	8i44-m6_A_U7_U8	NAN	NANT	0	0.47	AA01
075	8i44-m7_A_U7_U8	NAN	NANT	0	0.71	IC03
076	8i44-m8_A_U7_U8	NAN	NANT	0	0.59	AA01
077	8i44-m9_A_U7_U8	AAA	AA00	50	0.31	AA00
078	8i44-m10_A_U8_U9	NAN	NANT	0	1.49	OP29
079	8i44-m11_A_U8_U9	OPN	OP09	41	0.26	OP09
080	8i44-m1_A_U8_U9	OPN	OP09	43	0.30	OP09
081	8i44-m2_A_U8_U9	OPN	OP09	48	0.23	OP09
082	8i44-m3_A_U8_U9	OPN	OP09	48	0.29	OP09
083	8i44-m4_A_U8_U9	OPN	OP09	50	0.26	OP09
084	8i44-m5_A_U8_U9	OPN	OP09	40	0.26	OP09
085	8i44-m6_A_U8_U9	OPN	OP09	46	0.22	OP09
086	8i44-m7_A_U8_U9	OPN	OP09	50	0.26	OP09
087	8i44-m8_A_U8_U9	OPN	OP09	47	0.23	OP09
088	8i44-m9_A_U8_U9	OPN	OP09	64	0.25	OP09
089	8i44-m10_A_U9_C10	OPN	OP20	57	0.39	OP20
090	8i44-m11_A_U9_C10	OPN	OP20	58	0.47	OP20
091	8i44-m1_A_U9_C10	OPN	OP20	54	0.46	OP20
092	8i44-m2_A_U9_C10	OPN	OP20	49	0.49	OP20
093	8i44-m3_A_U9_C10	OPN	OP20	59	0.46	OP20
094	8i44-m4_A_U9_C10	OPN	OP20	47	0.49	OP20
095	8i44-m5_A_U9_C10	OPN	OP20	58	0.47	OP20
096	8i44-m6_A_U9_C10	OPN	OP20	49	0.49	OP20
097	8i44-m7_A_U9_C10	OPN	OP20	47	0.49	OP20
098	8i44-m8_A_U9_C10	OPN	OP20	49	0.49	OP20
099	8i44-m9_A_U9_C10	OPN	OP20	49	0.48	OP20
100	8i44-m10_A_C10_G11	NAN	NANT	0	0.52	ZZ1S
101	8i44-m11_A_C10_G11	ZZZ	ZZ1S	19	0.40	ZZ1S
102	8i44-m1_A_C10_G11	NAN	NANT	0	0.53	ZZ1S
103	8i44-m2_A_C10_G11	NAN	NANT	0	0.53	ZZ1S
104	8i44-m3_A_C10_G11	ZZZ	ZZ1S	14	0.33	ZZ1S
105	8i44-m4_A_C10_G11	NAN	NANT	0	0.52	ZZ1S
106	8i44-m5_A_C10_G11	ZZZ	ZZ1S	19	0.40	ZZ1S
107	8i44-m6_A_C10_G11	NAN	NANT	0	0.53	ZZ1S
108	8i44-m7_A_C10_G11	NAN	NANT	0	0.52	ZZ1S
109	8i44-m8_A_C10_G11	NAN	NANT	0	0.53	ZZ1S
110	8i44-m9_A_C10_G11	NAN	NANT	0	0.50	ZZ1S
111	8i44-m10_A_G11_A12	NAN	NANT	0	0.57	AA05
112	8i44-m11_A_G11_A12	NAN	NANT	0	0.61	AA05
113	8i44-m1_A_G11_A12	NAN	NANT	0	0.94	AAS1
114	8i44-m2_A_G11_A12	NAN	NANT	0	1.04	AAS1
115	8i44-m3_A_G11_A12	NAN	NANT	0	0.94	AAS1
116	8i44-m4_A_G11_A12	NAN	NANT	0	0.97	AAS1
117	8i44-m5_A_G11_A12	NAN	NANT	0	0.62	AA05
118	8i44-m6_A_G11_A12	NAN	NANT	0	0.53	AA05
119	8i44-m7_A_G11_A12	NAN	NANT	0	0.97	AAS1
120	8i44-m8_A_G11_A12	NAN	NANT	0	1.04	AAS1
121	8i44-m9_A_G11_A12	NAN	NANT	0	1.47	ZZS2
122	8i44-m10_A_A12_G13	AAA	AA00	80	0.19	AA00
123	8i44-m11_A_A12_G13	AAA	AA00	77	0.21	AA00
124	8i44-m1_A_A12_G13	AAA	AA00	78	0.17	AA00
125	8i44-m2_A_A12_G13	AAA	AA00	82	0.17	AA00
126	8i44-m3_A_A12_G13	AAA	AA00	83	0.16	AA00
127	8i44-m4_A_A12_G13	AAA	AA00	81	0.18	AA00
128	8i44-m5_A_A12_G13	AAA	AA00	79	0.20	AA00
129	8i44-m6_A_A12_G13	AAA	AA00	82	0.14	AA00
130	8i44-m7_A_A12_G13	AAA	AA00	82	0.17	AA00
131	8i44-m8_A_A12_G13	AAA	AA00	80	0.18	AA00
132	8i44-m9_A_A12_G13	AAA	AA00	71	0.23	AA00
133	8i44-m10_A_G13_C14	AAA	AA00	69	0.25	AA00
134	8i44-m11_A_G13_C14	AAA	AA00	73	0.22	AA00
135	8i44-m1_A_G13_C14	AAA	AA00	58	0.28	AA00
136	8i44-m2_A_G13_C14	AAA	AA00	76	0.22	AA00
137	8i44-m3_A_G13_C14	AAA	AA00	84	0.18	AA00
138	8i44-m4_A_G13_C14	AAA	AA00	64	0.26	AA00
139	8i44-m5_A_G13_C14	AAA	AA00	83	0.19	AA00
140	8i44-m6_A_G13_C14	AAA	AA00	68	0.25	AA00
141	8i44-m7_A_G13_C14	AAA	AA00	82	0.20	AA00
142	8i44-m8_A_G13_C14	AAA	AA00	62	0.27	AA00
143	8i44-m9_A_G13_C14	AAA	AA00	91	0.14	AA00
144	8i44-m10_A_C14_C15	A-B	AB05	54	0.62	AB05
145	8i44-m11_A_C14_C15	ICL	IC02	6	0.74	IC02
146	8i44-m1_A_C14_C15	A-B	AB05	63	0.56	AB05
147	8i44-m2_A_C14_C15	NAN	NANT	0	0.67	IC04
148	8i44-m3_A_C14_C15	NAN	NANT	0	0.78	IC02
149	8i44-m4_A_C14_C15	NAN	NANT	0	0.52	IC04
150	8i44-m5_A_C14_C15	A-B	AB05	52	0.61	AB05
151	8i44-m6_A_C14_C15	A-B	AB05	53	0.62	AB05
152	8i44-m7_A_C14_C15	A-B	AB04	13	0.62	AB04
153	8i44-m8_A_C14_C15	NAN	NANT	0	0.62	AB05
154	8i44-m9_A_C14_C15	A-B	AB04	20	0.60	AB04
155	8i44-m10_A_C15_A16	NAN	NANT	0	1.10	BA16
156	8i44-m11_A_C15_A16	NAN	NANT	0	0.77	ZZ02
157	8i44-m1_A_C15_A16	NAN	NANT	0	0.62	OP26
158	8i44-m2_A_C15_A16	NAN	NANT	0	0.57	OP15
159	8i44-m3_A_C15_A16	NAN	NANT	0	0.80	ZZ02
160	8i44-m4_A_C15_A16	NAN	NANT	0	1.00	BA16
161	8i44-m5_A_C15_A16	NAN	NANT	0	0.52	OP15
162	8i44-m6_A_C15_A16	NAN	NANT	0	1.11	BA16
163	8i44-m7_A_C15_A16	OPN	OP26	49	0.49	OP26
164	8i44-m8_A_C15_A16	NAN	NANT	0	1.13	BA16
165	8i44-m9_A_C15_A16	NAN	NANT	0	0.79	ZZ02
166	8i44-m10_A_A16_U17	AAA	AA00	64	0.23	AA00
167	8i44-m11_A_A16_U17	AAA	AA00	68	0.21	AA00
168	8i44-m1_A_A16_U17	AAA	AA00	82	0.13	AA00
169	8i44-m2_A_A16_U17	AAA	AA00	78	0.17	AA00
170	8i44-m3_A_A16_U17	AAA	AA00	61	0.24	AA00
171	8i44-m4_A_A16_U17	AAA	AA00	66	0.23	AA00
172	8i44-m5_A_A16_U17	AAA	AA00	79	0.17	AA00
173	8i44-m6_A_A16_U17	AAA	AA00	63	0.23	AA00
174	8i44-m7_A_A16_U17	AAA	AA00	76	0.19	AA00
175	8i44-m8_A_A16_U17	AAA	AA00	63	0.23	AA00
176	8i44-m9_A_A16_U17	AAA	AA00	71	0.21	AA00
177	8i44-m10_A_U17_C18	AAA	AA00	71	0.18	AA00
178	8i44-m11_A_U17_C18	AAA	AA00	71	0.18	AA00
179	8i44-m1_A_U17_C18	AAA	AA00	75	0.18	AA00
180	8i44-m2_A_U17_C18	AAA	AA00	71	0.19	AA00
181	8i44-m3_A_U17_C18	AAA	AA00	71	0.18	AA00
182	8i44-m4_A_U17_C18	AAA	AA00	71	0.18	AA00
183	8i44-m5_A_U17_C18	AAA	AA00	76	0.19	AA00
184	8i44-m6_A_U17_C18	AAA	AA00	71	0.18	AA00
185	8i44-m7_A_U17_C18	AAA	AA00	71	0.18	AA00
186	8i44-m8_A_U17_C18	AAA	AA00	71	0.18	AA00
187	8i44-m9_A_U17_C18	AAA	AA00	71	0.18	AA00
188	8i44-m10_A_C18_C19	AAA	AA00	71	0.38	AA00
189	8i44-m11_A_C18_C19	AAA	AA00	71	0.38	AA00
190	8i44-m1_A_C18_C19	AAA	AA00	71	0.37	AA00
191	8i44-m2_A_C18_C19	AAA	AA00	71	0.38	AA00
192	8i44-m3_A_C18_C19	AAA	AA00	71	0.38	AA00
193	8i44-m4_A_C18_C19	AAA	AA00	71	0.38	AA00
194	8i44-m5_A_C18_C19	AAA	AA00	42	0.41	AA00
195	8i44-m6_A_C18_C19	AAA	AA00	71	0.38	AA00
196	8i44-m7_A_C18_C19	AAA	AA00	71	0.38	AA00
197	8i44-m8_A_C18_C19	AAA	AA00	71	0.38	AA00
198	8i44-m9_A_C18_C19	AAA	AA00	71	0.38	AA00

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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