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Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.
Crystal structure of SpyCas9-sgRNA-AcrIIA4 ternary complex

Results of the assignment of 72 detected steps in 1 model(s), can be also downloaded as csv file. Average confal 0, percentile 0.

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Click a row in table or a step in JSmol for analysis of results. Click column headers to sort data.
step numberStep nameCANANtCconfalrmsd
015vw1_C_U11_U12NANNANT00.57BA08
025vw1_C_U12_G13AAAAA08660.26AA08
035vw1_C_G13_U14AAAAA00810.21AA00
045vw1_C_U14_A15AAAAA09390.49AA09
055vw1_C_A15_A16NANNANT00.61AA12
065vw1_C_A16_A17AAAAA00700.14AA00
075vw1_C_A17_A18AAAAA00370.26AA00
085vw1_C_A18_A19AAAAA00880.19AA00
095vw1_C_A19_A20AA1AA01910.16AA01
105vw1_C_A20_G21AAAAA00640.36AA00
115vw1_C_G21_U22AAAAA00880.11AA00
125vw1_C_U22_U23AAAAA00790.23AA00
135vw1_C_U23_U24AAAAA08650.39AA08
145vw1_C_U24_U25AAAAA00710.18AA00
155vw1_C_U25_A26AAAAA00690.21AA00
165vw1_C_A26_G27AA1AA01330.33AA01
175vw1_C_G27_A28NANNANT01.78OP21
185vw1_C_A28_G29NANNANT02.16OP01
195vw1_C_G29_C30AAAAA08760.27AA08
205vw1_C_C30_U31AAAAA00920.15AA00
215vw1_C_U31_A32AAAAA00830.20AA00
225vw1_C_A32_G33AAAAA00720.16AA00
235vw1_C_G33_A34OPNOP03460.35OP03
245vw1_C_A34_A35AA1AA11710.25AA11
255vw1_C_A35_A36AAAAA08870.22AA08
265vw1_C_A36_U37NANNANT00.86AA08
275vw1_C_U37_A38AAAAA00940.17AA00
285vw1_C_A38_G39AAAAA00930.12AA00
295vw1_C_G39_C40AAAAA04860.16AA04
305vw1_C_C40_A41AAAAA08840.23AA08
315vw1_C_A41_A42AAAAA00370.27AA00
325vw1_C_A42_G43NANNANT00.56AB02
335vw1_C_G43_U44NANNANT00.67OP20
345vw1_C_U44_U45OPNOP11630.54OP11
355vw1_C_U45_A46AAAAA00870.21AA00
365vw1_C_A46_A47AAAAA08750.28AA08
375vw1_C_A47_A48AAAAA00670.25AA00
385vw1_C_A48_A49AAAAA00810.20AA00
395vw1_C_A49_U50AAAAA00720.20AA00
405vw1_C_U50_A51NANNANT01.58OP02
415vw1_C_A51_A52NANNANT01.29OPS1
425vw1_C_A52_G53AA1AA05150.41AA05
435vw1_C_G53_G54AAAAA00510.29AA00
445vw1_C_G54_C55A-BAB05720.29AB05
455vw1_C_C55_U56NANNANT01.60BB00
465vw1_C_U56_A57NANNANT01.02OP20
475vw1_C_A57_G58NANNANT01.50BB07
485vw1_C_G58_U59NANNANT00.95OP17
495vw1_C_U59_C60OPNOP06210.49OP06
505vw1_C_C60_C61AAAAA00740.14AA00
515vw1_C_C61_G62AAAAA00610.18AA00
525vw1_C_G62_U63NANNANT00.94OP07
535vw1_C_U63_U64OPNOP11790.30OP11
545vw1_C_U64_A65AAAAA00450.36AA00
555vw1_C_A65_U66AAAAA00230.41AA00
565vw1_C_U66_C67NANNANT00.70AA12
575vw1_C_C67_A68NANNANT01.38OP17
585vw1_C_A68_A69AAAAA08810.28AA08
595vw1_C_A69_C70AAAAA00810.17AA00
605vw1_C_C70_U71AAAAA00550.30AA00
615vw1_C_U71_U72AAAAA00660.21AA00
625vw1_C_U72_G73NANNANT00.29AA06
635vw1_C_G73_A74NANNANT00.44OP03
645vw1_C_A74_A75AAAAA08710.22AA08
655vw1_C_A75_A76NANNANT01.01IC04
665vw1_C_A76_A77NANNANT00.79AAS1
675vw1_C_A77_A78AAAAA00710.13AA00
685vw1_C_A78_G79AA1AA06760.22AA06
695vw1_C_G79_U80AAAAA0060.45AA00
705vw1_C_U80_G81NANNANT00.58AB05
715vw1_C_G81_U82NANNANT00.69IC06
725vw1_C_U82_C83NANNANT01.04OP13

Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.

© Jiří Černý & Bohdan Schneider

Definition of torsion angles
step:
Table of conformers

δεζα1β1γ1δ1χχ1NCCNNNCC
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

Drag the plot for panning, scroll to zoom, click a point to show superposition in JSmol.

Download

Results (as csv)
Restraints (default edits file)
Best NtC fitted to input structure.

Definition of the conformers as torsion averages (csv) and their esd values (csv) or as their Cartesian coordinates of the 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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