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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 82 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
017kvu_G_GTP1_G2AAAAA08440.30 AA08
027kvu_G_G2_G3AAAAA00800.18 AA00
037kvu_G_G3_A4AAAAA00890.16 AA00
047kvu_G_A4_A5AAAAA00960.07 AA00
057kvu_G_A5_G6AAAAA00850.16 AA00
067kvu_G_G6_A7AAAAA00690.08 AA00
077kvu_G_A7_U8AAAAA00930.09 AA00
087kvu_G_U8_A9AAAAA00760.17 AA00
097kvu_G_A9_C10AAAAA00820.18 AA00
107kvu_G_C10_A11NANNANT00.53 IC02
117kvu_G_A11_A12NANNANT00.38 OP15
127kvu_G_A12_G13AAAAA00360.39 AA00
137kvu_G_G13_G14NANNANT00.53 AB04
147kvu_G_G14_U15NANNANT01.54 OP16
157kvu_G_U15_G16AAAAA08690.44 AA08
167kvu_G_G16_A17NANNANT00.64 OP08
177kvu_G_A17_G18NANNANT01.82 OP19
187kvu_G_G18_C19AAAAA08640.25 AA08
197kvu_G_C19_C20AAAAA03810.18 AA03
207kvu_G_C20_C21AAAAA00670.21 AA00
217kvu_G_C21_A22AAAAA08850.14 AA08
227kvu_G_A22_A23AAwAA01820.16 AA01
237kvu_G_A23_U24AAAAA08890.14 AA08
247kvu_G_U24_A25AAuAA12520.29 AA12
257kvu_G_A25_A26AAAAA00660.16 AA00
267kvu_G_A26_U27A-BAB05820.25 AB05
277kvu_G_U27_A28NANNANT01.01 OP22
287kvu_G_A28_U29NANNANT00.49 OP21
297kvu_G_U29_G30OPNOP11700.39 OP11
307kvu_G_G30_G31AAAAA00620.23 AA00
317kvu_G_G31_U32OPNOP01700.38 OP01
327kvu_G_U32_U33AAAAA00800.19 AA00
337kvu_G_U33_U34AAAAA03790.26 AA03
347kvu_G_U34_G35AAAAA00890.13 AA00
357kvu_G_G35_G36AAAAA00790.12 AA00
367kvu_G_G36_G37AAAAA08850.19 AA08
377kvu_G_G37_U38AAAAA08890.15 AA08
387kvu_G_U38_U39AAAAA08590.32 AA08
397kvu_G_U39_A40AAuAA13610.43 AA13
407kvu_G_A40_G41AAAAA08650.35 AA08
417kvu_G_G41_G42NANNANT01.16 IC02
427kvu_G_G42_A43NANNANT01.41 OP04
437kvu_G_A43_U44AAAAA04230.58 AA04
447kvu_G_U44_A45A-BAB05110.48 AB05
457kvu_G_A45_G46NANNANT00.78 BB16
467kvu_G_G46_G47NANNANT01.28 BB07
477kvu_G_G47_A48NANNANT00.81 OP20
487kvu_G_A48_A49NANNANT00.68 OP15
497kvu_G_A49_G50NANNANT00.86 IC07
507kvu_G_G50_U51NANNANT00.79 OP29
517kvu_G_U51_A52NANNANT02.08 OP16
527kvu_G_A52_G53AAAAA08610.23 AA08
537kvu_G_G53_A54AAAAA00770.16 AA00
547kvu_G_A54_G55AAwAA01840.10 AA01
557kvu_G_G55_C56AAAAA08770.31 AA08
567kvu_G_C56_C57AAAAA08910.12 AA08
577kvu_G_C57_U58ICLIC04390.53 IC04
587kvu_G_U58_U59NANNANT00.43 OP22
597kvu_G_U59_A60NANNANT00.60 ZZ02
607kvu_G_A60_A61NANNANT00.47 AB02
617kvu_G_A61_A62NANNANT00.33 BA09
627kvu_G_A62_C63NANNANT01.02 OP08
637kvu_G_C63_U64AAAAA00530.27 AA00
647kvu_G_U64_C65AAAAA00790.12 AA00
657kvu_G_C65_U66AAAAA00920.16 AA00
667kvu_G_U66_C67AAAAA00770.20 AA00
677kvu_G_C67_U68AAAAA00840.17 AA00
687kvu_G_U68_A69NANNANT00.41 IC03
697kvu_G_A69_A70NANNANT01.41 BB01
707kvu_G_A70_G71NANNANT01.97 OP19
717kvu_G_G71_C72NANNANT01.45 BA16
727kvu_G_C72_G73AAAAA00700.30 AA00
737kvu_G_G73_G74NANNANT00.98 AA08
747kvu_G_G74_U75AAAAA08290.33 AA08
757kvu_G_U75_A76AAAAA00930.11 AA00
767kvu_G_A76_U77AAAAA00800.11 AA00
777kvu_G_U77_C78AAAAA00830.16 AA00
787kvu_G_C78_U79AAAAA08770.20 AA08
797kvu_G_U79_U80AAAAA00970.11 AA00
807kvu_G_U80_C81AAAAA00930.13 AA00
817kvu_G_C81_C82AAAAA00910.18 AA00
827kvu_G_C82_C83AAAAA00930.18 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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