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Conformers: ABBIImiBZICOPNSYNN
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NMR structure of adenosine bulged RNA duplex with C:G-A triple

Results of the assignment of 150 detected steps in 10 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
0012k3z-m10_A_G1_U2AAAAA00680.24 AA00
0022k3z-m1_A_G1_U2AAAAA04330.44 AA04
0032k3z-m2_A_G1_U2AAAAA0080.36 AA00
0042k3z-m3_A_G1_U2AAAAA00460.28 AA00
0052k3z-m4_A_G1_U2AAAAA00830.24 AA00
0062k3z-m5_A_G1_U2AAAAA04900.14 AA04
0072k3z-m6_A_G1_U2AAAAA00670.34 AA00
0082k3z-m7_A_G1_U2AAAAA00530.31 AA00
0092k3z-m8_A_G1_U2AAAAA00660.33 AA00
0102k3z-m9_A_G1_U2AAAAA04840.19 AA04
0112k3z-m10_A_U2_C3AAAAA00580.34 AA00
0122k3z-m1_A_U2_C3AAAAA00540.35 AA00
0132k3z-m2_A_U2_C3AAAAA04590.35 AA04
0142k3z-m3_A_U2_C3AAAAA00600.36 AA00
0152k3z-m4_A_U2_C3AAAAA08770.26 AA08
0162k3z-m5_A_U2_C3AAAAA00300.38 AA00
0172k3z-m6_A_U2_C3AAAAA00330.40 AA00
0182k3z-m7_A_U2_C3AAAAA00260.37 AA00
0192k3z-m8_A_U2_C3AAAAA00480.33 AA00
0202k3z-m9_A_U2_C3AAAAA04620.38 AA04
0212k3z-m10_A_C3_G4A-BAB05550.29 AB05
0222k3z-m1_A_C3_G4A-BAB05320.38 AB05
0232k3z-m2_A_C3_G4A-BAB05670.27 AB05
0242k3z-m3_A_C3_G4NANNANT00.51 AB04
0252k3z-m4_A_C3_G4A-BAB05340.31 AB05
0262k3z-m5_A_C3_G4A-BAB05670.35 AB05
0272k3z-m6_A_C3_G4A-BAB05380.29 AB05
0282k3z-m7_A_C3_G4A-BAB05340.24 AB05
0292k3z-m8_A_C3_G4A-BAB05420.33 AB05
0302k3z-m9_A_C3_G4A-BAB05820.24 AB05
0312k3z-m10_A_G4_A5NANNANT01.04 AA13
0322k3z-m1_A_G4_A5NANNANT01.06 AA13
0332k3z-m2_A_G4_A5NANNANT01.12 AA13
0342k3z-m3_A_G4_A5NANNANT01.12 AA13
0352k3z-m4_A_G4_A5NANNANT01.14 AA13
0362k3z-m5_A_G4_A5NANNANT01.15 AA13
0372k3z-m6_A_G4_A5NANNANT01.12 AA13
0382k3z-m7_A_G4_A5NANNANT01.10 AA13
0392k3z-m8_A_G4_A5NANNANT01.15 AA13
0402k3z-m9_A_G4_A5NANNANT01.14 AA13
0412k3z-m10_A_A5_G6NANNANT00.74 AA08
0422k3z-m1_A_A5_G6NANNANT00.79 AA00
0432k3z-m2_A_A5_G6NANNANT00.78 AA08
0442k3z-m3_A_A5_G6NANNANT00.83 AA08
0452k3z-m4_A_A5_G6NANNANT00.78 AA08
0462k3z-m5_A_A5_G6NANNANT00.81 AA08
0472k3z-m6_A_A5_G6NANNANT00.76 AA08
0482k3z-m7_A_A5_G6AAAAA08210.74 AA08
0492k3z-m8_A_A5_G6NANNANT00.88 AA04
0502k3z-m9_A_A5_G6NANNANT00.85 AA08
0512k3z-m10_A_G6_C7AAAAA00550.27 AA00
0522k3z-m1_A_G6_C7AAAAA00580.24 AA00
0532k3z-m2_A_G6_C7AAAAA00410.23 AA00
0542k3z-m3_A_G6_C7AAAAA00340.28 AA00
0552k3z-m4_A_G6_C7AAAAA00740.21 AA00
0562k3z-m5_A_G6_C7AAAAA00700.24 AA00
0572k3z-m6_A_G6_C7AAAAA00790.20 AA00
0582k3z-m7_A_G6_C7AAAAA00480.24 AA00
0592k3z-m8_A_G6_C7AAAAA08460.37 AA08
0602k3z-m9_A_G6_C7AAAAA00560.25 AA00
0612k3z-m10_A_C7_U8AAAAA00310.32 AA00
0622k3z-m1_A_C7_U8AAAAA00420.27 AA00
0632k3z-m2_A_C7_U8AAAAA00420.27 AA00
0642k3z-m3_A_C7_U8AAAAA00350.32 AA00
0652k3z-m4_A_C7_U8AAAAA00330.28 AA00
0662k3z-m5_A_C7_U8AAAAA00280.31 AA00
0672k3z-m6_A_C7_U8AAAAA00370.26 AA00
0682k3z-m7_A_C7_U8AAAAA00400.27 AA00
0692k3z-m8_A_C7_U8AAAAA00330.34 AA00
0702k3z-m9_A_C7_U8AAAAA00410.31 AA00
0712k3z-m10_A_U8_G9AAAAA08370.25 AA08
0722k3z-m1_A_U8_G9AAAAA00530.32 AA00
0732k3z-m2_A_U8_G9AAAAA00550.30 AA00
0742k3z-m3_A_U8_G9AAAAA00490.24 AA00
0752k3z-m4_A_U8_G9AAAAA09710.25 AA09
0762k3z-m5_A_U8_G9AAAAA00410.30 AA00
0772k3z-m6_A_U8_G9AAAAA00460.33 AA00
0782k3z-m7_A_U8_G9AAAAA00550.32 AA00
0792k3z-m8_A_U8_G9AAAAA00420.23 AA00
0802k3z-m9_A_U8_G9AAAAA00640.20 AA00
0812k3z-m10_B_C10_A11AAAAA00730.20 AA00
0822k3z-m1_B_C10_A11AAAAA00350.26 AA00
0832k3z-m2_B_C10_A11AAAAA00390.25 AA00
0842k3z-m3_B_C10_A11AAAAA00680.17 AA00
0852k3z-m4_B_C10_A11AAAAA00810.18 AA00
0862k3z-m5_B_C10_A11AAAAA00820.17 AA00
0872k3z-m6_B_C10_A11AAAAA00110.41 AA00
0882k3z-m7_B_C10_A11AAAAA00590.18 AA00
0892k3z-m8_B_C10_A11AAAAA00720.18 AA00
0902k3z-m9_B_C10_A11AAAAA00740.18 AA00
0912k3z-m10_B_A11_G12AAAAA00710.21 AA00
0922k3z-m1_B_A11_G12AAAAA00390.31 AA00
0932k3z-m2_B_A11_G12AAAAA00410.31 AA00
0942k3z-m3_B_A11_G12AAAAA00700.22 AA00
0952k3z-m4_B_A11_G12AAAAA00760.22 AA00
0962k3z-m5_B_A11_G12AAAAA00780.23 AA00
0972k3z-m6_B_A11_G12AAAAA00710.22 AA00
0982k3z-m7_B_A11_G12AAAAA00540.28 AA00
0992k3z-m8_B_A11_G12AAAAA00740.22 AA00
1002k3z-m9_B_A11_G12AAAAA00770.23 AA00
1012k3z-m10_B_G12_C13AAAAA08670.30 AA08
1022k3z-m1_B_G12_C13AAAAA00510.26 AA00
1032k3z-m2_B_G12_C13AAAAA00910.16 AA00
1042k3z-m3_B_G12_C13AAAAA00600.27 AA00
1052k3z-m4_B_G12_C13AAAAA00800.23 AA00
1062k3z-m5_B_G12_C13AAAAA00650.30 AA00
1072k3z-m6_B_G12_C13AAAAA00890.17 AA00
1082k3z-m7_B_G12_C13AAAAA00870.19 AA00
1092k3z-m8_B_G12_C13AAAAA00230.30 AA00
1102k3z-m9_B_G12_C13AAAAA00660.32 AA00
1112k3z-m10_B_C13_C14AAAAA04360.54 AA04
1122k3z-m1_B_C13_C14AAAAA04280.58 AA04
1132k3z-m2_B_C13_C14AAAAA04460.46 AA04
1142k3z-m3_B_C13_C14AAAAA04500.43 AA04
1152k3z-m4_B_C13_C14AAAAA04460.44 AA04
1162k3z-m5_B_C13_C14AAAAA0080.35 AA00
1172k3z-m6_B_C13_C14AAAAA04460.45 AA04
1182k3z-m7_B_C13_C14AAAAA04440.47 AA04
1192k3z-m8_B_C13_C14AAAAA04360.56 AA04
1202k3z-m9_B_C13_C14AAAAA00290.25 AA00
1212k3z-m10_B_C14_G15AAAAA00300.40 AA00
1222k3z-m1_B_C14_G15AAAAA08580.27 AA08
1232k3z-m2_B_C14_G15AAAAA00600.35 AA00
1242k3z-m3_B_C14_G15AAAAA00330.35 AA00
1252k3z-m4_B_C14_G15AAAAA00560.28 AA00
1262k3z-m5_B_C14_G15AAAAA08590.25 AA08
1272k3z-m6_B_C14_G15AAAAA08700.22 AA08
1282k3z-m7_B_C14_G15AAAAA08580.28 AA08
1292k3z-m8_B_C14_G15AAAAA08770.17 AA08
1302k3z-m9_B_C14_G15AAAAA00540.30 AA00
1312k3z-m10_B_G15_A16AAAAA00860.20 AA00
1322k3z-m1_B_G15_A16AAAAA00840.22 AA00
1332k3z-m2_B_G15_A16AAAAA04570.46 AA04
1342k3z-m3_B_G15_A16AAAAA00510.28 AA00
1352k3z-m4_B_G15_A16AAAAA00500.21 AA00
1362k3z-m5_B_G15_A16AAAAA08680.29 AA08
1372k3z-m6_B_G15_A16AAAAA00550.26 AA00
1382k3z-m7_B_G15_A16AAAAA00840.21 AA00
1392k3z-m8_B_G15_A16AAAAA00890.16 AA00
1402k3z-m9_B_G15_A16AAAAA00460.31 AA00
1412k3z-m10_B_A16_C17AAAAA00640.16 AA00
1422k3z-m1_B_A16_C17NANNANT00.42 AA04
1432k3z-m2_B_A16_C17AAAAA00230.27 AA00
1442k3z-m3_B_A16_C17AAAAA08770.28 AA08
1452k3z-m4_B_A16_C17AAAAA04680.22 AA04
1462k3z-m5_B_A16_C17AAAAA08650.30 AA08
1472k3z-m6_B_A16_C17AAAAA00680.24 AA00
1482k3z-m7_B_A16_C17AAAAA00600.18 AA00
1492k3z-m8_B_A16_C17AAAAA00180.28 AA00
1502k3z-m9_B_A16_C17AAAAA08680.31 AA08

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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