Conformers:
ABBIImiBZICOPNSYNN
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3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE ADENINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS, 2 STRUCTURES
Click a row in table or a step in viewer for analysis of results. Click column headers to sort data.
Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.
Results of the assignment of 36 detected steps in 2 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.
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 number | Step name | CANA | NtC | confal | rmsd |
|---|---|---|---|---|---|
| 01 | 1b6y-m1_A_DC1_DG2 | BBB | BB00 | 38 | 0.40 |
| 02 | 1b6y-m2_A_DC1_DG2 | BBB | BB00 | 37 | 0.42 |
| 03 | 1b6y-m1_A_DG2_DT3 | BBB | BB00 | 73 | 0.20 |
| 04 | 1b6y-m2_A_DG2_DT3 | BBB | BB00 | 70 | 0.23 |
| 05 | 1b6y-m1_A_DT3_DA4 | BBB | BB00 | 59 | 0.30 |
| 06 | 1b6y-m2_A_DT3_DA4 | BBB | BB00 | 59 | 0.30 |
| 07 | 1b6y-m1_A_DA4_DC5 | BBB | BB00 | 73 | 0.18 |
| 08 | 1b6y-m2_A_DA4_DC5 | BBB | BB00 | 74 | 0.16 |
| 09 | 1b6y-m1_A_DC7_DA8 | BBB | BB00 | 62 | 0.29 |
| 10 | 1b6y-m2_A_DC7_DA8 | BBB | BB00 | 63 | 0.29 |
| 11 | 1b6y-m1_A_DA8_DT9 | BBB | BB00 | 62 | 0.28 |
| 12 | 1b6y-m2_A_DA8_DT9 | BBB | BB00 | 64 | 0.28 |
| 13 | 1b6y-m1_A_DT9_DG10 | BBB | BB00 | 55 | 0.33 |
| 14 | 1b6y-m2_A_DT9_DG10 | BBB | BB00 | 53 | 0.34 |
| 15 | 1b6y-m1_A_DG10_DC11 | B-A | BA01 | 18 | 0.33 |
| 16 | 1b6y-m2_A_DG10_DC11 | B-A | BA01 | 17 | 0.34 |
| 17 | 1b6y-m1_B_DG1_DC2 | BBB | BB00 | 65 | 0.22 |
| 18 | 1b6y-m2_B_DG1_DC2 | BBB | BB00 | 65 | 0.23 |
| 19 | 1b6y-m1_B_DC2_DA3 | BBB | BB00 | 42 | 0.38 |
| 20 | 1b6y-m2_B_DC2_DA3 | BBB | BB00 | 35 | 0.40 |
| 21 | 1b6y-m1_B_DA3_DT4 | BBB | BB01 | 75 | 0.17 |
| 22 | 1b6y-m2_B_DA3_DT4 | BBB | BB01 | 72 | 0.18 |
| 23 | 1b6y-m1_B_DT4_DG5 | BBB | BB00 | 32 | 0.41 |
| 24 | 1b6y-m2_B_DT4_DG5 | BBB | BB00 | 33 | 0.41 |
| 25 | 1b6y-m1_B_DG5_DA6 | B-A | BA05 | 25 | 0.38 |
| 26 | 1b6y-m2_B_DG5_DA6 | BBB | BB01 | 33 | 0.28 |
| 27 | 1b6y-m1_B_DA6_DG7 | NAN | NANT | 0 | 0.83 |
| 28 | 1b6y-m2_B_DA6_DG7 | NAN | NANT | 0 | 0.79 |
| 29 | 1b6y-m1_B_DG7_DT8 | BBB | BB00 | 62 | 0.25 |
| 30 | 1b6y-m2_B_DG7_DT8 | BBB | BB00 | 64 | 0.23 |
| 31 | 1b6y-m1_B_DT8_DA9 | BBB | BB00 | 62 | 0.26 |
| 32 | 1b6y-m2_B_DT8_DA9 | BBB | BB00 | 67 | 0.23 |
| 33 | 1b6y-m1_B_DA9_DC10 | BBB | BB01 | 65 | 0.28 |
| 34 | 1b6y-m2_B_DA9_DC10 | BBB | BB01 | 59 | 0.30 |
| 35 | 1b6y-m1_B_DC10_DG11 | BBw | BB17 | 40 | 0.41 |
| 36 | 1b6y-m2_B_DC10_DG11 | BBw | BB17 | 36 | 0.43 |
Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.
|
step: Table of conformers |
| δ1 | ε1 | ζ1 | α2 | β2 | γ2 | δ2 | χ1 | χ2 | μ | NN | CC | |
| step_torsions | ||||||||||||
| ntC_average | ||||||||||||
| Δ torsions | ||||||||||||
| torsion scores |
| comments | step 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).
Browse conformers
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