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Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.

©Jiří Černý & Bohdan Schneider

Crystal structure of CAG repeats with synthetic CMBL3a compound (model I)

Results of the assignment of 28 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 JSmol for analysis of results. Click column headers to sort data.
step numberStep nameCANANtCconfalrmsd
016qir_A_G1_C2AAAAA00720.17AA00
026qir_A_C2_A3ICLIC01930.24IC01
036qir_A_A3_G4OPNOP14660.37OP14
046qir_A_G4_C5AAAAA08650.39AA08
056qir_A_C5_A6NANNANT00.75OP30
066qir_A_A6_G7AAAAA00910.15AA00
076qir_A_G7_C8AAAAA00940.14AA00
086qir_B_G1_C2AAAAA00850.16AA00
096qir_B_C2_A3ICLIC01960.19IC01
106qir_B_A3_G4OPNOP14560.41OP14
116qir_B_G4_C5AAAAA00820.20AA00
126qir_B_C5_A6NANNANT00.87OP30
136qir_B_A6_G7AAAAA00870.14AA00
146qir_B_G7_C8AAAAA00940.12AA00
156qir_C_G1_C2AAAAA00830.14AA00
166qir_C_C2_A3ICLIC01940.20IC01
176qir_C_A3_G4OPNOP14600.34OP14
186qir_C_G4_C5AAAAA00860.20AA00
196qir_C_C5_A6NANNANT00.84OP30
206qir_C_A6_G7AAAAA00910.13AA00
216qir_C_G7_C8AAAAA00950.12AA00
226qir_D_G1_C2AAAAA00820.14AA00
236qir_D_C2_A3ICLIC01980.22IC01
246qir_D_A3_G4OPNOP14620.37OP14
256qir_D_G4_C5A-BAB05170.35AB05
266qir_D_C5_A6NANNANT00.78OP11
276qir_D_A6_G7AAAAA00760.13AA00
286qir_D_G7_C8AAAAA00960.12AA00

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.
Restraints file for Phenix (steps with RMSD <= 0.5Å)
Restraints file for REFMAC (steps with RMSD <= 0.5Å)
Commands file for MMB (steps with RMSD <= 0.5Å)
Best NtC fitted to input structure.

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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