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Conformers: ABBIImiBZICOPNSYNN
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Crystal structure of an E. coli thi-box riboswitch bound to pyrithiamine

Results of the assignment of 60 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
012hop_A_G9_C10AAAAA08770.33 AA08
022hop_A_C10_G11AAAAA00760.26 AA00
032hop_A_G11_A12AAAAA00390.22 AA00
042hop_A_A12_C13AAAAA00330.29 AA00
052hop_A_C13_U14AAAAA00670.30 AA00
062hop_A_U14_C15AAAAA08750.30 AA08
072hop_A_C15_G16AAAAA00590.33 AA00
082hop_A_G16_G17AAAAA00790.18 AA00
092hop_A_G17_G18AAAAA00820.28 AA00
102hop_A_G18_G19AAAAA00490.25 AA00
112hop_A_G19_U20NANNANT00.51 AA01
122hop_A_U20_G21NANNANT01.68 OP24
132hop_A_G21_C22AAAAA08550.46 AA08
142hop_A_C22_C23NANNANT00.39 AA10
152hop_A_C23_C24AAAAA08440.40 AA08
162hop_A_G29_C30NANNANT00.71 AA04
172hop_A_C30_G31AAwAA01490.26 AA01
182hop_A_G31_U32AAAAA08650.43 AA08
192hop_A_A34_A35NANNANT00.79 AA08
202hop_A_A35_G36AAAAA00140.62 AA00
212hop_A_G36_G37AAAAA08240.35 AA08
222hop_A_G37_C38AAuAA12330.51 AA12
232hop_A_C38_U39AAAAA00650.25 AA00
242hop_A_U39_G40AAAAA00320.45 AA00
252hop_A_G40_A41OPNOP04370.24 OP04
262hop_A_A41_G42AAAAA08670.35 AA08
272hop_A_G42_A43NANNANT00.54 AB04
282hop_A_A43_A44NANNANT01.38 OP1S
292hop_A_A44_A45NANNANT01.87 AA05
302hop_A_A47_C48AAAAA08750.31 AA08
312hop_A_C48_C49AAAAA00830.20 AA00
322hop_A_C49_C50AAAAA00750.19 AA00
332hop_A_C50_G51AAAAA00630.24 AA00
342hop_A_G51_U52OPNOP02230.41 OP02
352hop_A_U52_A53NANNANT00.91 ZZ1S
362hop_A_A56_C57NANNANT00.70 AA08
372hop_A_C57_C58AAuAA12520.39 AA12
382hop_A_C58_U59AAwAA01390.37 AA01
392hop_A_U59_G60NANNANT00.84 IC03
402hop_A_U64_G65AAuAA12540.36 AA12
412hop_A_G65_G66AAAAA08490.27 AA08
422hop_A_G66_A67AAwAA11340.56 AA11
432hop_A_A67_U68NANNANT00.81 AA08
442hop_A_U68_A69OPNOP04140.43 OP04
452hop_A_A69_A70AAAAA09660.22 AA09
462hop_A_A70_U71NANNANT00.45 AB1S
472hop_A_C73_C74AAAAA00190.43 AA00
482hop_A_C74_A75AAAAA08640.22 AA08
492hop_A_A75_G76AAwAA01120.56 AA01
502hop_A_A80_G81AAAAA08320.39 AA08
512hop_A_G81_G82AAAAA00780.26 AA00
522hop_A_G82_G83AAwAA01380.30 AA01
532hop_A_G83_A84NANNANT00.54 AA07
542hop_A_A84_A85NANNANT01.28 IC01
552hop_A_A85_G86NANNANT00.37 BA10
562hop_A_G86_U87AAAAA00670.19 AA00
572hop_A_U87_C88AAAAA00640.20 AA00
582hop_A_C88_G89AAAAA00660.43 AA00
592hop_A_G89_C90NANNANT00.28 AA00
602hop_A_C90_A91NANNANT01.26 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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