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Conformers: ABBIImiBZICOPNSYNN
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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 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
015vw1_C_U11_U12NANNANT00.57 BA08
025vw1_C_U12_G13AAAAA08650.32 AA08
035vw1_C_G13_U14AAAAA00810.21 AA00
045vw1_C_U14_A15AAAAA09100.49 AA09
055vw1_C_A15_A16NANNANT00.55 AA12
065vw1_C_A16_A17AAAAA00690.21 AA00
075vw1_C_A17_A18AAAAA00370.26 AA00
085vw1_C_A18_A19AAAAA00880.16 AA00
095vw1_C_A19_A20AAwAA01900.16 AA01
105vw1_C_A20_G21AAAAA00630.41 AA00
115vw1_C_G21_U22AAAAA00880.17 AA00
125vw1_C_U22_U23AAAAA00780.20 AA00
135vw1_C_U23_U24AAAAA08640.36 AA08
145vw1_C_U24_U25AAAAA00710.20 AA00
155vw1_C_U25_A26AAAAA00680.17 AA00
165vw1_C_A26_G27AAwAA01280.33 AA01
175vw1_C_G27_A28NANNANT01.77 OP21
185vw1_C_A28_G29NANNANT02.06 OP06
195vw1_C_G29_C30AAAAA08760.18 AA08
205vw1_C_C30_U31AAAAA00920.14 AA00
215vw1_C_U31_A32AAAAA00830.23 AA00
225vw1_C_A32_G33AAAAA00720.20 AA00
235vw1_C_G33_A34OPNOP03440.17 OP03
245vw1_C_A34_A35AAwAA11710.28 AA11
255vw1_C_A35_A36AAAAA08860.28 AA08
265vw1_C_A36_U37NANNANT00.88 AA08
275vw1_C_U37_A38AAAAA00940.10 AA00
285vw1_C_A38_G39AAAAA00930.10 AA00
295vw1_C_G39_C40AAAAA04850.26 AA04
305vw1_C_C40_A41AAAAA08830.21 AA08
315vw1_C_A41_A42AAAAA00360.27 AA00
325vw1_C_A42_G43NANNANT00.56 AB02
335vw1_C_G43_U44NANNANT00.67 OP20
345vw1_C_U44_U45OPNOP11350.55 OP11
355vw1_C_U45_A46AAAAA00870.23 AA00
365vw1_C_A46_A47AAAAA08750.22 AA08
375vw1_C_A47_A48AAAAA00660.27 AA00
385vw1_C_A48_A49AAAAA00800.15 AA00
395vw1_C_A49_U50AAAAA00700.28 AA00
405vw1_C_U50_A51NANNANT01.58 OP02
415vw1_C_A51_A52NANNANT00.95 OPS1
425vw1_C_A52_G53NANNANT00.60 AA05
435vw1_C_G53_G54AAAAA00510.27 AA00
445vw1_C_G54_C55A-BAB05720.25 AB05
455vw1_C_C55_U56NANNANT01.60 BB00
465vw1_C_U56_A57NANNANT00.98 OP20
475vw1_C_A57_G58NANNANT00.53 ZZ02
485vw1_C_G58_U59NANNANT00.95 OP17
495vw1_C_U59_C60NANNANT00.48 OP06
505vw1_C_C60_C61AAAAA00730.21 AA00
515vw1_C_C61_G62AAAAA00610.20 AA00
525vw1_C_G62_U63NANNANT00.86 IC02
535vw1_C_U63_U64OPNOP11770.39 OP11
545vw1_C_U64_A65AAAAA00440.40 AA00
555vw1_C_A65_U66AAAAA00220.44 AA00
565vw1_C_U66_C67NANNANT00.65 AA12
575vw1_C_C67_A68NANNANT01.38 OP17
585vw1_C_A68_A69AAAAA08810.30 AA08
595vw1_C_A69_C70AAAAA00810.20 AA00
605vw1_C_C70_U71AAAAA00550.29 AA00
615vw1_C_U71_U72AAAAA00660.24 AA00
625vw1_C_U72_G73AAwAA05210.65 AA05
635vw1_C_G73_A74NANNANT00.32 OP03
645vw1_C_A74_A75AAAAA08710.30 AA08
655vw1_C_A75_A76NANNANT01.01 IC04
665vw1_C_A76_A77NANNANT00.90 AAS1
675vw1_C_A77_A78AAAAA00700.15 AA00
685vw1_C_A78_G79AAwAA06750.20 AA06
695vw1_C_G79_U80NANNANT00.45 AA00
705vw1_C_U80_G81NANNANT00.59 AB05
715vw1_C_G81_U82NANNANT00.69 IC06
725vw1_C_U82_C83NANNANT01.09 OP13

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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