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Conformers: ABBIImiBZICOPNSYNN
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Crystal structure of xanthine riboswitch with 8-azaxanthine

Results of the assignment of 88 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
017els_A_G2_A3AAAAA00850.10 AA00
027els_A_A3_G4AAAAA00840.18 AA00
037els_A_G4_U5AAAAA00670.35 AA00
047els_A_U5_A6A-BAB05660.29 AB05
057els_A_A6_G7OPNOP15660.52 OP15
067els_A_G7_A8AAwAA05320.57 AA05
077els_A_A8_A9NANNANT00.88 AA11
087els_A_A9_G10AAAAA00430.43 AA00
097els_A_G10_C11AAwAA01810.14 AA01
107els_A_C11_G12AAwAA11570.42 AA11
117els_A_G12_U13AAuAA12510.64 AA12
127els_A_U13_U14AAAAA00930.11 AA00
137els_A_U14_C15AAAAA00780.20 AA00
147els_A_C15_A16AAwAA01360.26 AA01
157els_A_A16_G17AAAAA08720.38 AA08
167els_A_G17_C18AAAAA00780.11 AA00
177els_A_C18_G19AAwAA06890.20 AA06
187els_A_G19_G20AAAAA08380.34 AA08
197els_A_G20_C21AAAAA08870.18 AA08
207els_A_C21_C22AAAAA08850.16 AA08
217els_A_C22_G23AAAAA00880.20 AA00
227els_A_G23_A24NANNANT00.42 OP04
237els_A_A24_A25AAAAA00250.42 AA00
247els_A_A25_A26AAAAA04780.26 AA04
257els_A_A26_G27NANNANT00.94 AA08
267els_A_G27_G28AAAAA00770.17 AA00
277els_A_G28_C29AAAAA08880.14 AA08
287els_A_C29_C30AAAAA00840.18 AA00
297els_A_C30_G31AAAAA00820.14 AA00
307els_A_G31_C32AAwAA01350.31 AA01
317els_A_C32_C33AAAAA08760.36 AA08
327els_A_C33_C34NANNANT01.27 IC04
337els_A_C34_G35NANNANT01.42 OP30
347els_A_G35_G36NANNANT01.86 OP29
357els_A_G36_A37AAAAA08710.18 AA08
367els_A_A37_A38AAAAA00870.14 AA00
377els_A_A38_A39AAAAA08870.25 AA08
387els_A_A39_U40AAAAA08840.16 AA08
397els_A_U40_U41AAAAA08710.24 AA08
407els_A_U41_G42AAwAA06390.23 AA06
417els_A_G42_C43AAAAA08850.19 AA08
427els_A_C43_U44AAAAA00740.16 AA00
437els_A_U44_C45AAAAA00730.20 AA00
447els_A_C45_C46AAAAA00900.14 AA00
457els_B_G2_A3AAAAA00670.26 AA00
467els_B_A3_G4AAAAA00760.21 AA00
477els_B_G4_U5AAAAA00820.27 AA00
487els_B_U5_A6A-BAB05720.29 AB05
497els_B_A6_G7NANNANT00.56 OP15
507els_B_G7_A8AAwAA05300.64 AA05
517els_B_A8_A9AAAAA03120.58 AA03
527els_B_A9_G10AAAAA00790.22 AA00
537els_B_G10_C11AAAAA08860.23 AA08
547els_B_C11_G12NANNANT00.61 AA10
557els_B_G12_U13AAuAA07380.43 AA07
567els_B_U13_U14AAAAA00330.29 AA00
577els_B_U14_C15AAAAA08910.18 AA08
587els_B_C15_A16AAwAA06790.32 AA06
597els_B_A16_G17AAAAA03250.53 AA03
607els_B_G17_C18AAwAA01740.23 AA01
617els_B_C18_G19AAwAA06640.33 AA06
627els_B_G19_G20AAAAA08580.28 AA08
637els_B_G20_C21AAAAA08670.29 AA08
647els_B_C21_C22AAwAA06720.38 AA06
657els_B_C22_G23AAAAA08480.38 AA08
667els_B_G23_A24OPNOP03410.24 OP03
677els_B_A24_A25AAAAA08690.33 AA08
687els_B_A25_A26AAAAA04800.24 AA04
697els_B_A26_G27NANNANT00.90 AA08
707els_B_G27_G28AAAAA08680.41 AA08
717els_B_G28_C29AAAAA08860.17 AA08
727els_B_C29_C30AAAAA00810.24 AA00
737els_B_C30_G31AAAAA00770.12 AA00
747els_B_G31_C32AAAAA04790.23 AA04
757els_B_C32_C33AAAAA08800.28 AA08
767els_B_C33_C34NANNANT00.82 AA10
777els_B_C34_G35NANNANT01.05 IC03
787els_B_G35_G36NANNANT01.61 OP26
797els_B_G36_A37NANNANT00.33 AA06
807els_B_A37_A38AAAAA08910.18 AA08
817els_B_A38_A39AAAAA00890.17 AA00
827els_B_A39_U40AAAAA08840.18 AA08
837els_B_U40_U41AAAAA08790.22 AA08
847els_B_U41_G42AAwAA06720.21 AA06
857els_B_G42_C43AAAAA08760.27 AA08
867els_B_C43_U44AAAAA08790.17 AA08
877els_B_U44_C45AAAAA00650.15 AA00
887els_B_C45_C46NANNANT00.44 AA10

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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