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Conformers: ABBIImiBZICOPNSYNN
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Crystal structure of an E. coli thi-box riboswitch bound to thiamine pyrophosphate, manganese ions

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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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 numberStep nameCANANtCconfalrmsd
012hoj_A_G9_C10AAAAA00980.09 AA00
022hoj_A_C10_G11AAAAA00960.16 AA00
032hoj_A_G11_A12AAAAA00840.17 AA00
042hoj_A_A12_C13AAAAA00950.10 AA00
052hoj_A_C13_U14AAAAA00850.14 AA00
062hoj_A_U14_C15AAAAA08840.26 AA08
072hoj_A_C15_G16AAAAA00850.25 AA00
082hoj_A_G16_G17AAAAA00430.27 AA00
092hoj_A_G17_G18AAwAA01640.25 AA01
102hoj_A_G18_G19AAAAA08500.35 AA08
112hoj_A_G19_U20NANNANT00.34 AA02
122hoj_A_U20_G21NANNANT01.85 OP24
132hoj_A_G21_C22AAAAA08740.23 AA08
142hoj_A_C22_C23AAAAA00940.20 AA00
152hoj_A_C23_C24AAAAA00640.30 AA00
162hoj_A_C24_U25NANNANT01.89 BB10
172hoj_A_C30_G31AAwAA06660.35 AA06
182hoj_A_G31_U32NANNANT00.51 AA01
192hoj_A_U32_G33NANNANT00.59 AB2S
202hoj_A_G33_A34NANNANT00.89 AAS1
212hoj_A_A34_A35AAAAA00230.45 AA00
222hoj_A_A35_G36AAAAA00440.45 AA00
232hoj_A_G36_G37AAAAA00680.21 AA00
242hoj_A_G37_C38AAAAA00450.31 AA00
252hoj_A_C38_U39AAAAA00680.20 AA00
262hoj_A_U39_G40AAAAA00650.31 AA00
272hoj_A_G40_A41OPNOP04830.17 OP04
282hoj_A_A41_G42AAAAA00580.28 AA00
292hoj_A_G42_A43NANNANT00.55 AB04
302hoj_A_A43_A44NANNANT01.28 OP1S
312hoj_A_A44_A45NANNANT01.51 BBS1
322hoj_A_A47_C48AAAAA00830.18 AA00
332hoj_A_C48_C49AAAAA00940.09 AA00
342hoj_A_C49_C50AAAAA00820.16 AA00
352hoj_A_C50_G51AAAAA00480.29 AA00
362hoj_A_G51_U52OPNOP0170.75 OP01
372hoj_A_U52_A53NANNANT01.72 AA01
382hoj_A_A56_C57AAAAA08240.63 AA08
392hoj_A_C57_C58AAAAA00860.18 AA00
402hoj_A_C58_U59AAAAA00880.17 AA00
412hoj_A_U59_G60AAAAA00500.32 AA00
422hoj_A_G60_A61NANNANT00.39 ZZ01
432hoj_A_A61_U62NANNANT00.57 OP18
442hoj_A_U62_C63NANNANT00.89 OP13
452hoj_A_C63_U64AAAAA00250.28 AA00
462hoj_A_U64_G65AAAAA00840.16 AA00
472hoj_A_G65_G66AAAAA00830.25 AA00
482hoj_A_G66_A67AAwAA01960.13 AA01
492hoj_A_A67_U68AAAAA00770.29 AA00
502hoj_A_U68_A69OPNOP04860.13 OP04
512hoj_A_A69_A70AAAAA00600.28 AA00
522hoj_A_A70_U71AAAAA00690.23 AA00
532hoj_A_U71_G72NANNANT00.72 OP09
542hoj_A_G72_C73NANNANT01.12 OP30
552hoj_A_C73_C74AAAAA00770.17 AA00
562hoj_A_C74_A75AAAAA00920.16 AA00
572hoj_A_A75_G76AAAAA00760.18 AA00
582hoj_A_G76_C77AAAAA00240.42 AA00
592hoj_A_C77_G78NANNANT00.32 ZZ01
602hoj_A_A80_G81AAAAA00430.27 AA00
612hoj_A_G81_G82AAwAA01860.18 AA01
622hoj_A_G82_G83AAAAA08350.47 AA08
632hoj_A_G83_A84AAuAA07400.36 AA07
642hoj_A_A84_A85NANNANT00.56 IC07
652hoj_A_A85_G86B-ABA10590.31 BA10
662hoj_A_G86_U87AAAAA00900.12 AA00
672hoj_A_U87_C88AAAAA00720.24 AA00
682hoj_A_C88_G89AAAAA00890.16 AA00
692hoj_A_G89_C90AAAAA00910.17 AA00
702hoj_A_C90_A2391NANNANT01.15 OP01

Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.
Definition of torsion angles
step:
Table of conformers

δ1ε1ζ1α2β2γ2δ2χ1χ2μNNCC
step_torsions
ntC_average
Δ torsions
torsion scores

commentsstep confal = NaN
cartesian RMSD = NaN Å
pseudorotation: NA
details: NA
Similarity of step to class averages

Download

Results as csv or json file.
Best NtC fitted to input structure.

Restraints

Restraints file for REFMAC (steps with RMSD <= 0.5Å)
Commands file for MMB (steps with RMSD <= 0.5Å)
Restraints file for Phenix (steps with RMSD <= 0.5Å) [?]

Definitions

Average parameters (csv), esd values (csv), and Cartesian coordinates of conformers.

Download the papers

Description of DNATCO server:
Černý et al., Nucleic Acids Research, 44, W284 (2016).
Definition of conformers:
Schneider et al., Acta Cryst D, 74, 52-64 (2018).
Example of application:
Schneider et al., Genes, 8(10), 278, (2017).

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