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Conformers: ABBIImiBZICOPNSYNN
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Crystal structure of Aquifex aeolicus methionyl-tRNA synthetase complexed with tRNA(Met) and methionyl-adenylate anologue

Results of the assignment of 146 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
0012ct8_C_G1_G2AAAAA00960.12 AA00
0022ct8_C_G2_C3AAAAA00570.24 AA00
0032ct8_C_C3_G4AAAAA00810.11 AA00
0042ct8_C_G4_G5AAAAA00810.24 AA00
0052ct8_C_G5_C6AAAAA08600.32 AA08
0062ct8_C_C6_G7AAAAA00170.32 AA00
0072ct8_C_G7_U8NANNANT01.17 OP30
0082ct8_C_U8_A9NANNANT00.53 AA13
0092ct8_C_A9_G10NANNANT01.27 OP26
0102ct8_C_G10_C11AAAAA00690.26 AA00
0112ct8_C_C11_U12NANNANT00.83 IC03
0122ct8_C_U12_C13AAwAA05520.29 AA05
0132ct8_C_C13_A14NANNANT00.90 IC03
0142ct8_C_A14_G15AAwAA10230.47 AA10
0152ct8_C_G15_C16NANNANT01.01 OP06
0162ct8_C_C16_U17NANNANT01.13 AA10
0172ct8_C_U17_G18NANNANT01.33 OP06
0182ct8_C_G18_G19NANNANT00.69 AA01
0192ct8_C_G19_U20NANNANT01.31 OP30
0202ct8_C_C20.A_A21NANNANT02.65 OP08
0212ct8_C_U20_C20.ANANNANT01.37 OP08
0222ct8_C_A21_G22NANNANT00.58 IC07
0232ct8_C_G22_A23AAAAA00520.17 AA00
0242ct8_C_A23_G24AAAAA00790.19 AA00
0252ct8_C_G24_C25AAAAA00740.14 AA00
0262ct8_C_C25_G26AAAAA00680.37 AA00
0272ct8_C_G26_G27AAAAA00550.36 AA00
0282ct8_C_G27_G28AAAAA00590.25 AA00
0292ct8_C_G28_G29AAAAA00930.15 AA00
0302ct8_C_G29_A30AAAAA00760.27 AA00
0312ct8_C_A30_U31AAAAA00810.13 AA00
0322ct8_C_U31_C32AAuAA12690.18 AA12
0332ct8_C_C32_U33NANNANT00.69 AA04
0342ct8_C_U33_C34NANNANT01.26 AA13
0352ct8_C_C34_A35AAAAA00180.34 AA00
0362ct8_C_A35_U36NANNANT00.60 OP04
0372ct8_C_U36_A37NANNANT01.14 OP17
0382ct8_C_A37_A38NANNANT01.66 BB08
0392ct8_C_A38_G39NANNANT00.63 AA08
0402ct8_C_G39_U40AAAAA00740.24 AA00
0412ct8_C_U40_C41AAAAA00940.10 AA00
0422ct8_C_C41_C42AAAAA00770.15 AA00
0432ct8_C_C42_C43AAAAA00540.24 AA00
0442ct8_C_C43_A44NANNANT00.75 AA08
0452ct8_C_A44_G45NANNANT02.53 OP04
0462ct8_C_G45_G46NANNANT01.07 OP25
0472ct8_C_G46_U47NANNANT01.16 OP03
0482ct8_C_U47_C48NANNANT01.21 OP05
0492ct8_C_C48_G49NANNANT01.31 OP06
0502ct8_C_G49_G50NANNANT00.83 AA04
0512ct8_C_G50_A51AAAAA00520.33 AA00
0522ct8_C_A51_G52AAAAA00800.28 AA00
0532ct8_C_G52_G53AAwAA06630.38 AA06
0542ct8_C_G53_U54NANNANT00.80 IC03
0552ct8_C_U54_U55AAwAA05690.36 AA05
0562ct8_C_U55_C56OPNOP03640.28 OP03
0572ct8_C_C56_G57AAAAA00230.52 AA00
0582ct8_C_G57_A58NANNANT00.73 AA07
0592ct8_C_A58_G59NANNANT02.44 OP01
0602ct8_C_G59_U60NANNANT00.70 AAS1
0612ct8_C_U60_C61NANNANT00.67 OP12
0622ct8_C_C61_C62AAAAA00890.14 AA00
0632ct8_C_C62_U63AAAAA00830.19 AA00
0642ct8_C_U63_C64AAAAA00680.24 AA00
0652ct8_C_C64_C65AAAAA00790.20 AA00
0662ct8_C_C65_C66AAAAA00940.13 AA00
0672ct8_C_C66_G67AAAAA00860.21 AA00
0682ct8_C_G67_C68AAwAA01830.29 AA01
0692ct8_C_C68_C69AAAAA08750.18 AA08
0702ct8_C_C69_G70AAAAA00580.21 AA00
0712ct8_C_G70_C71AAAAA00870.14 AA00
0722ct8_C_C71_C72AAAAA00720.38 AA00
0732ct8_C_C72_A73AAAAA00660.28 AA00
0742ct8_D_G1_G2AAAAA00310.35 AA00
0752ct8_D_G2_C3AAAAA08790.21 AA08
0762ct8_D_C3_G4AAAAA04770.20 AA04
0772ct8_D_G4_G5AAAAA00910.14 AA00
0782ct8_D_G5_C6AAAAA00830.22 AA00
0792ct8_D_C6_G7AAAAA00510.22 AA00
0802ct8_D_G7_U8NANNANT01.17 OP30
0812ct8_D_U8_A9NANNANT00.78 AA07
0822ct8_D_A9_G10NANNANT01.32 OP26
0832ct8_D_G10_C11AAAAA00510.34 AA00
0842ct8_D_C11_U12AAAAA00740.25 AA00
0852ct8_D_U12_C13AAwAA01830.18 AA01
0862ct8_D_C13_A14AAuAA12360.47 AA12
0872ct8_D_A14_G15AAwAA05710.40 AA05
0882ct8_D_G15_C16NANNANT00.73 OP06
0892ct8_D_C16_U17NANNANT01.06 IC03
0902ct8_D_U17_G18NANNANT00.72 OP05
0912ct8_D_G18_G19NANNANT00.65 AA12
0922ct8_D_G19_U20NANNANT01.10 OP07
0932ct8_D_C20.A_A21NANNANT01.86 AA05
0942ct8_D_U20_C20.ANANNANT01.55 OP04
0952ct8_D_A21_G22NANNANT00.73 AA01
0962ct8_D_G22_A23AAAAA08380.37 AA08
0972ct8_D_A23_G24AAAAA00840.13 AA00
0982ct8_D_G24_C25AAAAA08920.16 AA08
0992ct8_D_C25_G26AAAAA00770.25 AA00
1002ct8_D_G26_G27AAAAA00810.32 AA00
1012ct8_D_G27_G28AAAAA00890.17 AA00
1022ct8_D_G28_G29AAAAA00850.21 AA00
1032ct8_D_G29_A30AAAAA08850.18 AA08
1042ct8_D_A30_U31AAAAA08860.14 AA08
1052ct8_D_U31_C32AAuAA12860.11 AA12
1062ct8_D_C32_U33NANNANT00.64 AA03
1072ct8_D_U33_C34NANNANT01.21 AA13
1082ct8_D_C34_A35AAAAA09630.32 AA09
1092ct8_D_A35_U36NANNANT00.70 OP04
1102ct8_D_U36_A37NANNANT01.13 OP17
1112ct8_D_A37_A38NANNANT01.78 OP24
1122ct8_D_A38_G39NANNANT00.57 AA08
1132ct8_D_G39_U40AAAAA00720.24 AA00
1142ct8_D_U40_C41AAAAA00750.12 AA00
1152ct8_D_C41_C42AAAAA00850.21 AA00
1162ct8_D_C42_C43AAAAA00880.20 AA00
1172ct8_D_C43_A44AAAAA00890.17 AA00
1182ct8_D_A44_G45AAAAA03110.48 AA03
1192ct8_D_G45_G46NANNANT01.18 AB02
1202ct8_D_G46_U47NANNANT00.47 OP29
1212ct8_D_U47_C48NANNANT01.65 OP06
1222ct8_D_C48_G49NANNANT01.29 OP30
1232ct8_D_G49_G50AAAAA00200.35 AA00
1242ct8_D_G50_A51AAAAA00860.16 AA00
1252ct8_D_A51_G52NANNANT00.62 AA06
1262ct8_D_G52_G53AAwAA01650.27 AA01
1272ct8_D_G53_U54AAAAA04320.56 AA04
1282ct8_D_U54_U55AAAAA08690.33 AA08
1292ct8_D_U55_C56OPNOP0380.74 OP03
1302ct8_D_C56_G57NANNANT00.56 AA10
1312ct8_D_G57_A58NANNANT01.12 AB02
1322ct8_D_A58_G59NANNANT01.50 OP05
1332ct8_D_G59_U60AAAAA08490.43 AA08
1342ct8_D_U60_C61NANNANT01.96 OP10
1352ct8_D_C61_C62NANNANT00.80 AA11
1362ct8_D_C62_U63NANNANT00.87 AB04
1372ct8_D_U63_C64AAAAA00330.35 AA00
1382ct8_D_C64_C65AAwAA01780.19 AA01
1392ct8_D_C65_C66AAAAA00510.34 AA00
1402ct8_D_C66_G67AAAAA00690.23 AA00
1412ct8_D_G67_C68AAwAA01760.26 AA01
1422ct8_D_C68_C69AAAAA00870.22 AA00
1432ct8_D_C69_G70AAAAA00910.13 AA00
1442ct8_D_G70_C71AAAAA00900.15 AA00
1452ct8_D_C71_C72AAAAA00850.16 AA00
1462ct8_D_C72_A73NANNANT00.50 AA12

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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