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Conformers: ABBIImiBZICOPNSYNN
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Crystal structure of Squash RNA aptamer in complex with DFHBI-1T

Results of the assignment of 81 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
017kvv_D_G2_G3AAAAA08530.23 AA08
027kvv_D_G3_A4AAAAA00890.16 AA00
037kvv_D_A4_A5AAAAA00910.10 AA00
047kvv_D_A5_G6AAAAA00910.10 AA00
057kvv_D_G6_A7AAAAA00920.06 AA00
067kvv_D_A7_U8AAAAA00930.12 AA00
077kvv_D_U8_A9AAAAA00970.10 AA00
087kvv_D_A9_C10AAAAA00860.16 AA00
097kvv_D_C10_A11ICLIC02420.50 IC02
107kvv_D_A11_A12NANNANT00.41 OP15
117kvv_D_A12_G13AAAAA08820.30 AA08
127kvv_D_G13_G14A-BAB05530.44 AB05
137kvv_D_G14_U15OPNOP1580.49 OP15
147kvv_D_U15_G16AAAAA00180.50 AA00
157kvv_D_G16_A17NANNANT00.64 OP08
167kvv_D_A17_G18NANNANT01.82 OP19
177kvv_D_G18_C19AAAAA08940.15 AA08
187kvv_D_C19_C20AAAAA00660.26 AA00
197kvv_D_C20_C21AAAAA00910.11 AA00
207kvv_D_C21_A22AAAAA00820.12 AA00
217kvv_D_A22_A23AAwAA01900.15 AA01
227kvv_D_A23_U24AAAAA08680.21 AA08
237kvv_D_U24_A25AAAAA00510.32 AA00
247kvv_D_A25_A26AAAAA00770.16 AA00
257kvv_D_A26_U27A-BAB05880.21 AB05
267kvv_D_U27_A28NANNANT01.08 OP22
277kvv_D_A28_U29NANNANT00.53 OP21
287kvv_D_U29_G30OPNOP11870.43 OP11
297kvv_D_G30_G31AAAAA00660.21 AA00
307kvv_D_G31_U32OPNOP01830.40 OP01
317kvv_D_U32_U33AAAAA00820.22 AA00
327kvv_D_U33_U34AAAAA00960.14 AA00
337kvv_D_U34_G35AAAAA00880.13 AA00
347kvv_D_G35_G36AAAAA00910.07 AA00
357kvv_D_G36_G37AAAAA00910.10 AA00
367kvv_D_G37_U38AAAAA00870.12 AA00
377kvv_D_U38_U39AAAAA00790.20 AA00
387kvv_D_U39_A40AAuAA13710.35 AA13
397kvv_D_A40_G41AAAAA08850.33 AA08
407kvv_D_G41_G42NANNANT01.09 IC02
417kvv_D_G42_A43NANNANT01.39 OP04
427kvv_D_A43_U44AAAAA00160.39 AA00
437kvv_D_U44_A45A-BAB05670.44 AB05
447kvv_D_A45_G46BBwBB16280.67 BB16
457kvv_D_G46_G47NANNANT01.31 BB07
467kvv_D_G47_A48NANNANT00.79 OP20
477kvv_D_A48_A49NANNANT01.07 OP10
487kvv_D_A49_G50NANNANT00.58 IC04
497kvv_D_G50_U51NANNANT00.83 OP29
507kvv_D_U51_A52NANNANT01.83 OP17
517kvv_D_A52_G53AAAAA08780.15 AA08
527kvv_D_G53_A54AAAAA08850.22 AA08
537kvv_D_A54_G55AAwAA01780.13 AA01
547kvv_D_G55_C56AAAAA08840.28 AA08
557kvv_D_C56_C57AAAAA00860.11 AA00
567kvv_D_C57_U58ICLIC04330.55 IC04
577kvv_D_U58_U59OPNOP22600.33 OP22
587kvv_D_U59_A60NANNANT00.61 ZZ02
597kvv_D_A60_A61NANNANT00.53 AB02
607kvv_D_A61_A62B-ABA09620.26 BA09
617kvv_D_A62_C63NANNANT00.61 AA10
627kvv_D_C63_U64AAAAA08330.34 AA08
637kvv_D_U64_C65AAAAA00940.10 AA00
647kvv_D_C65_U66AAAAA00940.14 AA00
657kvv_D_U66_C67AAAAA00890.17 AA00
667kvv_D_C67_U68AAAAA08910.17 AA08
677kvv_D_U68_A69NANNANT00.39 IC03
687kvv_D_A69_A70NANNANT00.85 ZZ01
697kvv_D_A70_G71NANNANT01.99 OP19
707kvv_D_G71_C72NANNANT00.85 OP27
717kvv_D_C72_G73AAAAA00760.32 AA00
727kvv_D_G73_G74NANNANT00.92 AA08
737kvv_D_G74_U75AAAAA00530.26 AA00
747kvv_D_U75_A76AAAAA00970.09 AA00
757kvv_D_A76_U77AAAAA00900.10 AA00
767kvv_D_U77_C78AAAAA00970.11 AA00
777kvv_D_C78_U79AAAAA00950.11 AA00
787kvv_D_U79_U80AAAAA00880.13 AA00
797kvv_D_U80_C81AAAAA00860.17 AA00
807kvv_D_C81_C82AAAAA00940.12 AA00
817kvv_D_C82_C83AAAAA00930.14 AA00

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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