DNATCO v4.1: results

Structure of the CC mismatch from the thymidylate synthase binding site 1 hairpin and analysis of its interaction with paromomycin

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	2rpt-m10_A_G1_G2	AAA	AA00	99	0.22	AA00
002	2rpt-m1_A_G1_G2	AAA	AA00	99	0.22	AA00
003	2rpt-m2_A_G1_G2	AAA	AA00	97	0.20	AA00
004	2rpt-m3_A_G1_G2	AAA	AA00	99	0.19	AA00
005	2rpt-m4_A_G1_G2	AAA	AA00	97	0.17	AA00
006	2rpt-m5_A_G1_G2	AAA	AA00	98	0.22	AA00
007	2rpt-m6_A_G1_G2	AAA	AA00	96	0.18	AA00
008	2rpt-m7_A_G1_G2	AAA	AA00	94	0.21	AA00
009	2rpt-m8_A_G1_G2	AAA	AA00	98	0.21	AA00
010	2rpt-m9_A_G1_G2	AAA	AA00	98	0.20	AA00
011	2rpt-m10_A_G2_C3	AAA	AA00	98	0.20	AA00
012	2rpt-m1_A_G2_C3	AAA	AA00	98	0.21	AA00
013	2rpt-m2_A_G2_C3	AAA	AA00	97	0.19	AA00
014	2rpt-m3_A_G2_C3	AAA	AA00	98	0.16	AA00
015	2rpt-m4_A_G2_C3	AAA	AA00	93	0.20	AA00
016	2rpt-m5_A_G2_C3	AAA	AA00	96	0.23	AA00
017	2rpt-m6_A_G2_C3	AAA	AA00	98	0.14	AA00
018	2rpt-m7_A_G2_C3	AAA	AA00	95	0.19	AA00
019	2rpt-m8_A_G2_C3	AAA	AA00	97	0.25	AA00
020	2rpt-m9_A_G2_C3	AAA	AA00	95	0.21	AA00
021	2rpt-m10_A_C3_C4	AAA	AA00	95	0.22	AA00
022	2rpt-m1_A_C3_C4	AAA	AA00	85	0.26	AA00
023	2rpt-m2_A_C3_C4	AAA	AA00	90	0.23	AA00
024	2rpt-m3_A_C3_C4	AAA	AA00	79	0.28	AA00
025	2rpt-m4_A_C3_C4	AAA	AA00	88	0.23	AA00
026	2rpt-m5_A_C3_C4	AAA	AA00	87	0.27	AA00
027	2rpt-m6_A_C3_C4	AAA	AA00	78	0.25	AA00
028	2rpt-m7_A_C3_C4	AAA	AA00	80	0.28	AA00
029	2rpt-m8_A_C3_C4	AAw	AA01	25	0.52	AA01
030	2rpt-m9_A_C3_C4	AAA	AA00	77	0.30	AA00
031	2rpt-m10_A_C4_C5	AAu	AA12	63	0.45	AA12
032	2rpt-m1_A_C4_C5	AAu	AA12	66	0.45	AA12
033	2rpt-m2_A_C4_C5	AAu	AA12	67	0.42	AA12
034	2rpt-m3_A_C4_C5	AAu	AA12	73	0.42	AA12
035	2rpt-m4_A_C4_C5	AAA	AA00	15	0.46	AA00
036	2rpt-m5_A_C4_C5	AAA	AA00	26	0.46	AA00
037	2rpt-m6_A_C4_C5	AAu	AA12	63	0.42	AA12
038	2rpt-m7_A_C4_C5	AAA	AA00	16	0.48	AA00
039	2rpt-m8_A_C4_C5	AAu	AA12	70	0.42	AA12
040	2rpt-m9_A_C4_C5	AAu	AA12	58	0.48	AA12
041	2rpt-m10_A_C5_G6	AAA	AA08	37	0.46	AA08
042	2rpt-m1_A_C5_G6	AAA	AA08	37	0.42	AA08
043	2rpt-m2_A_C5_G6	AAA	AA08	30	0.45	AA08
044	2rpt-m3_A_C5_G6	AAA	AA08	41	0.40	AA08
045	2rpt-m4_A_C5_G6	NAN	NANT	0	0.44	AA08
046	2rpt-m5_A_C5_G6	AAA	AA08	47	0.38	AA08
047	2rpt-m6_A_C5_G6	AAA	AA08	42	0.40	AA08
048	2rpt-m7_A_C5_G6	AAA	AA08	42	0.43	AA08
049	2rpt-m8_A_C5_G6	NAN	NANT	0	0.44	AA08
050	2rpt-m9_A_C5_G6	NAN	NANT	0	0.48	AA08
051	2rpt-m10_A_G6_C7	AAA	AA00	85	0.29	AA00
052	2rpt-m1_A_G6_C7	AAA	AA00	59	0.32	AA00
053	2rpt-m2_A_G6_C7	AAA	AA00	83	0.27	AA00
054	2rpt-m3_A_G6_C7	AAA	AA00	74	0.30	AA00
055	2rpt-m4_A_G6_C7	AAA	AA00	83	0.28	AA00
056	2rpt-m5_A_G6_C7	AAA	AA00	67	0.34	AA00
057	2rpt-m6_A_G6_C7	AAA	AA00	85	0.22	AA00
058	2rpt-m7_A_G6_C7	AAA	AA00	61	0.32	AA00
059	2rpt-m8_A_G6_C7	AAA	AA00	62	0.33	AA00
060	2rpt-m9_A_G6_C7	AAA	AA00	86	0.29	AA00
061	2rpt-m10_A_C7_C8	AAA	AA00	77	0.24	AA00
062	2rpt-m1_A_C7_C8	AAA	AA00	59	0.27	AA00
063	2rpt-m2_A_C7_C8	AAA	AA00	63	0.23	AA00
064	2rpt-m3_A_C7_C8	AAA	AA00	47	0.28	AA00
065	2rpt-m4_A_C7_C8	AAA	AA00	58	0.28	AA00
066	2rpt-m5_A_C7_C8	AAA	AA00	50	0.28	AA00
067	2rpt-m6_A_C7_C8	AAA	AA00	44	0.28	AA00
068	2rpt-m7_A_C7_C8	AAA	AA00	57	0.25	AA00
069	2rpt-m8_A_C7_C8	AAA	AA00	61	0.27	AA00
070	2rpt-m9_A_C7_C8	AAA	AA00	61	0.28	AA00
071	2rpt-m10_A_C8_G9	AAA	AA08	38	0.38	AA08
072	2rpt-m1_A_C8_G9	AAA	AA00	13	0.38	AA00
073	2rpt-m2_A_C8_G9	AAA	AA00	12	0.41	AA00
074	2rpt-m3_A_C8_G9	AAA	AA08	42	0.37	AA08
075	2rpt-m4_A_C8_G9	AAA	AA08	43	0.37	AA08
076	2rpt-m5_A_C8_G9	AAA	AA08	37	0.42	AA08
077	2rpt-m6_A_C8_G9	AAA	AA08	43	0.37	AA08
078	2rpt-m7_A_C8_G9	AAA	AA08	39	0.37	AA08
079	2rpt-m8_A_C8_G9	AAA	AA08	44	0.36	AA08
080	2rpt-m9_A_C8_G9	AAA	AA08	45	0.36	AA08
081	2rpt-m10_A_G9_A10	NAN	NANT	0	0.67	OP09
082	2rpt-m1_A_G9_A10	OPN	OP04	81	0.27	OP04
083	2rpt-m2_A_G9_A10	OPN	OP04	68	0.35	OP04
084	2rpt-m3_A_G9_A10	OPN	OP04	63	0.29	OP04
085	2rpt-m4_A_G9_A10	OPN	OP04	74	0.26	OP04
086	2rpt-m5_A_G9_A10	OPN	OP04	60	0.33	OP04
087	2rpt-m6_A_G9_A10	NAN	NANT	0	0.68	OP09
088	2rpt-m7_A_G9_A10	OPN	OP04	81	0.27	OP04
089	2rpt-m8_A_G9_A10	OPN	OP04	83	0.29	OP04
090	2rpt-m9_A_G9_A10	OPN	OP04	75	0.31	OP04
091	2rpt-m10_A_A10_A11	NAN	NANT	0	0.45	AA01
092	2rpt-m1_A_A10_A11	NAN	NANT	0	0.43	AA00
093	2rpt-m2_A_A10_A11	AAA	AA08	45	0.41	AA08
094	2rpt-m3_A_A10_A11	AAA	AA00	24	0.39	AA00
095	2rpt-m4_A_A10_A11	AAA	AA00	19	0.41	AA00
096	2rpt-m5_A_A10_A11	AAA	AA00	13	0.40	AA00
097	2rpt-m6_A_A10_A11	NAN	NANT	0	0.50	BA10
098	2rpt-m7_A_A10_A11	AAA	AA00	16	0.40	AA00
099	2rpt-m8_A_A10_A11	AAA	AA08	42	0.44	AA08
100	2rpt-m9_A_A10_A11	AAA	AA08	47	0.40	AA08
101	2rpt-m10_A_A11_A12	AAA	AA00	78	0.29	AA00
102	2rpt-m1_A_A11_A12	AAA	AA00	75	0.26	AA00
103	2rpt-m2_A_A11_A12	AAA	AA00	87	0.23	AA00
104	2rpt-m3_A_A11_A12	AAA	AA00	85	0.24	AA00
105	2rpt-m4_A_A11_A12	AAA	AA00	80	0.24	AA00
106	2rpt-m5_A_A11_A12	AAA	AA00	85	0.25	AA00
107	2rpt-m6_A_A11_A12	AAA	AA00	61	0.34	AA00
108	2rpt-m7_A_A11_A12	AAA	AA00	83	0.24	AA00
109	2rpt-m8_A_A11_A12	AAA	AA00	86	0.22	AA00
110	2rpt-m9_A_A11_A12	AAA	AA00	88	0.27	AA00
111	2rpt-m10_A_A12_G13	AAA	AA08	33	0.51	AA08
112	2rpt-m1_A_A12_G13	AAA	AA08	24	0.54	AA08
113	2rpt-m2_A_A12_G13	AAA	AA08	37	0.47	AA08
114	2rpt-m3_A_A12_G13	AAA	AA08	33	0.50	AA08
115	2rpt-m4_A_A12_G13	AAA	AA08	37	0.48	AA08
116	2rpt-m5_A_A12_G13	AAA	AA08	41	0.46	AA08
117	2rpt-m6_A_A12_G13	AAA	AA08	32	0.51	AA08
118	2rpt-m7_A_A12_G13	AAA	AA08	34	0.51	AA08
119	2rpt-m8_A_A12_G13	AAA	AA08	32	0.49	AA08
120	2rpt-m9_A_A12_G13	A-B	AB05	73	0.44	AB05
121	2rpt-m10_A_G13_G14	AAA	AA00	96	0.20	AA00
122	2rpt-m1_A_G13_G14	AAA	AA00	94	0.18	AA00
123	2rpt-m2_A_G13_G14	AAA	AA00	97	0.17	AA00
124	2rpt-m3_A_G13_G14	AAA	AA00	96	0.20	AA00
125	2rpt-m4_A_G13_G14	AAA	AA00	97	0.20	AA00
126	2rpt-m5_A_G13_G14	AAA	AA00	96	0.22	AA00
127	2rpt-m6_A_G13_G14	AAA	AA00	95	0.20	AA00
128	2rpt-m7_A_G13_G14	AAA	AA00	98	0.17	AA00
129	2rpt-m8_A_G13_G14	AAA	AA00	97	0.16	AA00
130	2rpt-m9_A_G13_G14	NAN	NANT	0	0.35	BA05
131	2rpt-m10_A_G14_C15	AAA	AA00	71	0.27	AA00
132	2rpt-m1_A_G14_C15	AAA	AA00	19	0.40	AA00
133	2rpt-m2_A_G14_C15	AAA	AA00	54	0.30	AA00
134	2rpt-m3_A_G14_C15	AAu	AA12	64	0.36	AA12
135	2rpt-m4_A_G14_C15	AAA	AA00	55	0.31	AA00
136	2rpt-m5_A_G14_C15	AAA	AA00	49	0.32	AA00
137	2rpt-m6_A_G14_C15	AAA	AA00	41	0.33	AA00
138	2rpt-m7_A_G14_C15	AAA	AA00	53	0.33	AA00
139	2rpt-m8_A_G14_C15	AAA	AA00	27	0.36	AA00
140	2rpt-m9_A_G14_C15	AAA	AA00	75	0.29	AA00
141	2rpt-m10_A_C15_C16	AAu	AA12	72	0.31	AA12
142	2rpt-m1_A_C15_C16	NAN	NANT	0	0.44	AB04
143	2rpt-m2_A_C15_C16	AAA	AA00	11	0.41	AA00
144	2rpt-m3_A_C15_C16	NAN	NANT	0	0.54	AB04
145	2rpt-m4_A_C15_C16	AAA	AA00	36	0.36	AA00
146	2rpt-m5_A_C15_C16	AAA	AA00	20	0.41	AA00
147	2rpt-m6_A_C15_C16	AAu	AA12	52	0.42	AA12
148	2rpt-m7_A_C15_C16	AAA	AA00	64	0.32	AA00
149	2rpt-m8_A_C15_C16	AAu	AA12	57	0.39	AA12
150	2rpt-m9_A_C15_C16	AAu	AA12	69	0.41	AA12
151	2rpt-m10_A_C16_G17	AAA	AA08	38	0.34	AA08
152	2rpt-m1_A_C16_G17	NAN	NANT	0	0.48	BA08
153	2rpt-m2_A_C16_G17	AAA	AA08	36	0.37	AA08
154	2rpt-m3_A_C16_G17	NAN	NANT	0	0.56	BA08
155	2rpt-m4_A_C16_G17	AAA	AA00	19	0.33	AA00
156	2rpt-m5_A_C16_G17	AAA	AA00	33	0.31	AA00
157	2rpt-m6_A_C16_G17	AAA	AA08	39	0.40	AA08
158	2rpt-m7_A_C16_G17	AAA	AA00	47	0.31	AA00
159	2rpt-m8_A_C16_G17	AAA	AA08	31	0.40	AA08
160	2rpt-m9_A_C16_G17	AAA	AA00	26	0.33	AA00
161	2rpt-m10_A_G17_G18	AAA	AA00	96	0.17	AA00
162	2rpt-m1_A_G17_G18	AAA	AA00	91	0.19	AA00
163	2rpt-m2_A_G17_G18	AAA	AA00	93	0.20	AA00
164	2rpt-m3_A_G17_G18	AAA	AA00	95	0.17	AA00
165	2rpt-m4_A_G17_G18	AAA	AA00	94	0.18	AA00
166	2rpt-m5_A_G17_G18	AAA	AA00	92	0.20	AA00
167	2rpt-m6_A_G17_G18	AAA	AA00	96	0.16	AA00
168	2rpt-m7_A_G17_G18	AAA	AA00	88	0.20	AA00
169	2rpt-m8_A_G17_G18	AAA	AA00	90	0.22	AA00
170	2rpt-m9_A_G17_G18	AAA	AA00	97	0.19	AA00
171	2rpt-m10_A_G18_C19	AAA	AA00	99	0.12	AA00
172	2rpt-m1_A_G18_C19	AAA	AA00	100	0.12	AA00
173	2rpt-m2_A_G18_C19	AAA	AA00	99	0.14	AA00
174	2rpt-m3_A_G18_C19	AAA	AA00	99	0.12	AA00
175	2rpt-m4_A_G18_C19	AAA	AA00	97	0.17	AA00
176	2rpt-m5_A_G18_C19	AAA	AA00	99	0.15	AA00
177	2rpt-m6_A_G18_C19	AAA	AA00	98	0.17	AA00
178	2rpt-m7_A_G18_C19	AAA	AA00	99	0.15	AA00
179	2rpt-m8_A_G18_C19	AAA	AA00	99	0.19	AA00
180	2rpt-m9_A_G18_C19	AAA	AA00	99	0.16	AA00
181	2rpt-m10_A_C19_C20	AAA	AA00	92	0.21	AA00
182	2rpt-m1_A_C19_C20	AAA	AA00	94	0.18	AA00
183	2rpt-m2_A_C19_C20	AAA	AA00	97	0.16	AA00
184	2rpt-m3_A_C19_C20	AAA	AA00	95	0.15	AA00
185	2rpt-m4_A_C19_C20	AAA	AA00	95	0.14	AA00
186	2rpt-m5_A_C19_C20	AAA	AA00	97	0.23	AA00
187	2rpt-m6_A_C19_C20	AAA	AA00	93	0.19	AA00
188	2rpt-m7_A_C19_C20	AAA	AA00	88	0.20	AA00
189	2rpt-m8_A_C19_C20	AAA	AA00	93	0.22	AA00
190	2rpt-m9_A_C19_C20	AAA	AA00	96	0.19	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

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B-A

B

IC

OPN

Z

N

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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Restraints

User-based restraints

Definitions

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