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Conformers: ABBIImiBZICOPNSYNN
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Crystal structure of THF riboswitch, bound with THF

Results of the assignment of 100 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
0013sux_X_G1_G2NANNANT00.79 AA04
0023sux_X_G2_A3NANNANT00.47 AA10
0033sux_X_A3_C4AAAAA08900.12 AA08
0043sux_X_C4_A5AAAAA00860.23 AA00
0053sux_X_A5_G6AAAAA00870.15 AA00
0063sux_X_G6_A7A-BAB05810.12 AB05
0073sux_X_A7_G8NANNANT01.47 IC03
0083sux_X_G8_U9NANNANT00.51 OP20
0093sux_X_U9_A10NANNANT01.10 OP15
0103sux_X_A10_G11AAAAA00170.41 AA00
0113sux_X_G11_G12AAAAA04870.21 AA04
0123sux_X_G12_U13AAAAA00780.17 AA00
0133sux_X_U13_A14AAAAA00760.17 AA00
0143sux_X_A14_A15AAAAA00450.19 AA00
0153sux_X_A15_A16AAAAA00930.07 AA00
0163sux_X_A16_C17AAAAA00910.09 AA00
0173sux_X_C17_G18AAAAA00890.17 AA00
0183sux_X_G18_U19AAAAA00890.17 AA00
0193sux_X_U19_G20AAwAA01800.24 AA01
0203sux_X_G20_C21AAAAA00660.24 AA00
0213sux_X_C21_G22AAAAA00860.17 AA00
0223sux_X_G22_U23AAAAA00300.22 AA00
0233sux_X_U23_A24NANNANT01.02 OP21
0243sux_X_A24_A25NANNANT00.40 OP20
0253sux_X_A25_A26NANNANT00.96 BA17
0263sux_X_A26_G27AAAAA04300.42 AA04
0273sux_X_G27_U28AAAAA04900.31 AA04
0283sux_X_U28_G29AAAAA00750.28 AA00
0293sux_X_G29_C30AAAAA04930.27 AA04
0303sux_X_C30_C31AAAAA03860.17 AA03
0313sux_X_C31_U32AAAAA00780.17 AA00
0323sux_X_U32_G33AAAAA00120.17 AA00
0333sux_X_G33_A34AAAAA04850.22 AA04
0343sux_X_A34_G35AAAAA00600.21 AA00
0353sux_X_G35_G36AAwAA01830.22 AA01
0363sux_X_G36_G37AAAAA00620.22 AA00
0373sux_X_G37_A38AAAAA04860.22 AA04
0383sux_X_A38_C39AAAAA03150.51 AA03
0393sux_X_C39_G40NANNANT01.72 OP1S
0403sux_X_G40_G41NANNANT01.10 OPS1
0413sux_X_G41_G42AAAAA08160.41 AA08
0423sux_X_G42_G43AAAAA00590.30 AA00
0433sux_X_G43_A44NANNANT00.75 AA05
0443sux_X_A44_G45AAAAA08850.25 AA08
0453sux_X_G45_U46AAAAA08830.30 AA08
0463sux_X_U46_U47AAAAA0280.42 AA02
0473sux_X_U47_G48NANNANT00.68 BB16
0483sux_X_G48_U49NANNANT00.61 OP15
0493sux_X_U49_C50AAAAA00790.21 AA00
0503sux_X_C50_C51AAAAA00820.19 AA00
0513sux_X_C51_U52AAAAA04920.19 AA04
0523sux_X_U52_C53AAAAA03950.10 AA03
0533sux_X_C53_A54AAAAA04910.16 AA04
0543sux_X_A54_G55AAAAA00820.10 AA00
0553sux_X_G55_G56AAAAA00680.22 AA00
0563sux_X_G56_A57AAAAA00610.20 AA00
0573sux_X_A57_C58AAAAA00690.23 AA00
0583sux_X_C58_G59AAAAA00790.18 AA00
0593sux_X_G59_A60A-BAB05100.38 AB05
0603sux_X_A60_A61NANNANT00.43 OP14
0613sux_X_A61_C62NANNANT00.96 BA17
0623sux_X_C62_A63AAAAA04690.25 AA04
0633sux_X_A63_C64AAAAA08690.21 AA08
0643sux_X_C64_C65AAAAA00300.23 AA00
0653sux_X_C65_G66AAAAA00610.29 AA00
0663sux_X_G66_A67OPNOP03120.21 OP03
0673sux_X_A67_A68NANNANT00.39 AA11
0683sux_X_A68_A69NANNANT00.40 AA00
0693sux_X_A69_G70NANNANT00.88 AA08
0703sux_X_G70_G71AAAAA04840.26 AA04
0713sux_X_G71_U72AAAAA00380.23 AA00
0723sux_X_U72_G73AAAAA00970.12 AA00
0733sux_X_G73_G74AAwAA01510.19 AA01
0743sux_X_G74_C75AAAAA04620.32 AA04
0753sux_X_C75_G76A-BAB05930.23 AB05
0763sux_X_G76_G77NANNANT00.34 OP17
0773sux_X_G77_U78NANNANT00.80 OP06
0783sux_X_U78_A79AAuAA12530.34 AA12
0793sux_X_A79_C80AAAAA04850.15 AA04
0803sux_X_C80_G81AAAAA00900.11 AA00
0813sux_X_G81_U82AAAAA00770.14 AA00
0823sux_X_U82_U83AAAAA00790.22 AA00
0833sux_X_U83_U84AAAAA04930.10 AA04
0843sux_X_U84_A85AAAAA08770.22 AA08
0853sux_X_A85_C86AAAAA08900.14 AA08
0863sux_X_C86_C87AAAAA00910.17 AA00
0873sux_X_C87_G88AAAAA00620.25 AA00
0883sux_X_G88_C89A-BAB05490.23 AB05
0893sux_X_C89_A90OPNOP20200.84 OP20
0903sux_X_A90_U91NANNANT02.01 OP16
0913sux_X_U91_C92AAAAA00470.31 AA00
0923sux_X_C92_U93AAAAA00710.24 AA00
0933sux_X_U93_C94AAAAA00320.22 AA00
0943sux_X_C94_G95NANNANT00.55 AA08
0953sux_X_G95_C96AAAAA04740.32 AA04
0963sux_X_C96_U97AAAAA00930.16 AA00
0973sux_X_U97_G98AAAAA00830.16 AA00
0983sux_X_G98_U99NANNANT00.37 AA06
0993sux_X_U99_U100NANNANT00.55 AA11
1003sux_X_U100_CCC101A-BAB04140.57 AB04

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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