DNATCO v4.1: results

Crystal structure of the E. coli thiM riboswitch in complex with N1,N1-dimethyl-N2-(quinoxalin-6-ylmethyl)ethane-1,2-diamine (linked compound 37)

Results of the assignment of 70 detected steps in 1 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
01	7tzt_A_G9_C10	AAA	AA00	84	0.10	AA00
02	7tzt_A_C10_G11	AAA	AA00	92	0.09	AA00
03	7tzt_A_G11_A12	AAA	AA00	86	0.14	AA00
04	7tzt_A_A12_C13	AAA	AA00	89	0.13	AA00
05	7tzt_A_C13_U14	AAA	AA00	95	0.14	AA00
06	7tzt_A_U14_C15	AAA	AA00	82	0.20	AA00
07	7tzt_A_C15_G16	AAA	AA00	57	0.30	AA00
08	7tzt_A_G16_G17	AAA	AA00	75	0.19	AA00
09	7tzt_A_G17_G18	AAA	AA00	98	0.17	AA00
10	7tzt_A_G18_G19	AAA	AA03	66	0.32	AA03
11	7tzt_A_G19_U20	AAw	AA06	71	0.27	AA06
12	7tzt_A_U20_G21	NAN	NANT	0	1.54	OP27
13	7tzt_A_G21_C22	AAA	AA08	69	0.27	AA08
14	7tzt_A_C22_C23	AAA	AA00	75	0.21	AA00
15	7tzt_A_C23_C24	A-B	AB05	57	0.30	AB05
16	7tzt_A_C24_U25	NAN	NANT	0	0.58	OP15
17	7tzt_A_C30_G31	AAA	AA04	49	0.52	AA04
18	7tzt_A_G31_U32	NAN	NANT	0	0.41	AA10
19	7tzt_A_U32_G33	NAN	NANT	0	0.68	AA05
20	7tzt_A_G33_A34	NAN	NANT	0	0.98	BA10
21	7tzt_A_A34_A35	AAA	AA08	53	0.46	AA08
22	7tzt_A_A35_G36	AAA	AA08	39	0.58	AA08
23	7tzt_A_G36_G37	AAA	AA08	75	0.20	AA08
24	7tzt_A_G37_C38	AAu	AA12	58	0.43	AA12
25	7tzt_A_C38_U39	AAA	AA00	93	0.14	AA00
26	7tzt_A_U39_G40	AAA	AA08	66	0.47	AA08
27	7tzt_A_G40_A41	NAN	NANT	0	1.52	OP29
28	7tzt_A_A41_G42	AAA	AA08	38	0.48	AA08
29	7tzt_A_G42_A43	ICL	IC01	88	0.28	IC01
30	7tzt_A_A43_A44	NAN	NANT	0	1.02	OP10
31	7tzt_A_A44_A45	NAN	NANT	0	1.81	ZZS2
32	7tzt_A_A47_C48	AAA	AA08	81	0.16	AA08
33	7tzt_A_C48_C49	AAA	AA08	95	0.13	AA08
34	7tzt_A_C49_C50	AAA	AA00	90	0.19	AA00
35	7tzt_A_C50_G51	AAA	AA00	85	0.17	AA00
36	7tzt_A_G51_U52	OPN	OP28	67	0.15	OP28
37	7tzt_A_U52_A53	NAN	NANT	0	0.67	ZZ1S
38	7tzt_A_A56_C57	AAA	AA08	51	0.54	AA08
39	7tzt_A_C57_C58	AAA	AA00	33	0.28	AA00
40	7tzt_A_C58_U59	AAA	AA00	95	0.17	AA00
41	7tzt_A_U59_G60	AAA	AA08	76	0.37	AA08
42	7tzt_A_G60_A61	NAN	NANT	0	0.43	ZZ01
43	7tzt_A_C63_U64	AAA	AA00	17	0.36	AA00
44	7tzt_A_U64_G65	NAN	NANT	0	0.44	AA04
45	7tzt_A_G65_G66	AAA	AA00	77	0.20	AA00
46	7tzt_A_G66_A67	AAw	AA11	56	0.25	AA11
47	7tzt_A_A67_U68	AAA	AA08	55	0.27	AA08
48	7tzt_A_U68_A69	OPN	OP03	73	0.31	OP03
49	7tzt_A_A69_A70	AAA	AA08	68	0.31	AA08
50	7tzt_A_A70_U71	AAA	AA00	72	0.20	AA00
51	7tzt_A_U71_G72	NAN	NANT	0	1.18	OP17
52	7tzt_A_G72_C73	NAN	NANT	0	1.92	OP29
53	7tzt_A_C73_C74	AAA	AA00	31	0.34	AA00
54	7tzt_A_C74_A75	AAA	AA00	86	0.14	AA00
55	7tzt_A_A75_G76	AAw	AA01	15	0.36	AA01
56	7tzt_A_G76_C77	AAA	AA08	40	0.49	AA08
57	7tzt_A_C77_G78	NAN	NANT	0	0.41	ZZ01
58	7tzt_A_G78_U79	NAN	NANT	0	1.50	OP16
59	7tzt_A_U79_A80	NAN	NANT	0	0.96	OP13
60	7tzt_A_A80_G81	AAA	AA08	31	0.42	AA08
61	7tzt_A_G81_G82	AAA	AA00	86	0.15	AA00
62	7tzt_A_G82_G83	AAA	AA00	12	0.48	AA00
63	7tzt_A_G83_A84	NAN	NANT	0	0.33	AA07
64	7tzt_A_A84_A85	NAN	NANT	0	0.55	IC07
65	7tzt_A_A85_G86	B-A	BA16	67	0.16	BA16
66	7tzt_A_G86_U87	AAA	AA00	97	0.10	AA00
67	7tzt_A_U87_C88	AAA	AA00	78	0.18	AA00
68	7tzt_A_C88_G89	AAA	AA00	93	0.17	AA00
69	7tzt_A_G89_C90	AAA	AA00	83	0.20	AA00
70	7tzt_A_C90_A91	NAN	NANT	0	1.19	OP01

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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Results of the assignment of 70 detected steps in 1 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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