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Conformers: ABBIImiBZICOPNSYNN
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CRYSTAL STRUCTURE OF THERMUS THERMOPHILUS VALYL-TRNA SYNTHETASE COMPLEXED WITH TRNA(VAL) AND VALYL-ADENYLATE ANALOGUE

Results of the assignment of 148 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
0011ivs_C_G901_G902AAwAA01560.21 AA01
0021ivs_C_G902_G903AAwAA06490.43 AA06
0031ivs_C_G903_C904AAAAA08810.19 AA08
0041ivs_C_C904_G905AAAAA00720.17 AA00
0051ivs_C_G905_G906AAAAA00900.17 AA00
0061ivs_C_G906_C907NANNANT00.45 AB04
0071ivs_C_C907_U908NANNANT00.60 OP11
0081ivs_C_U908_A909NANNANT01.01 IC02
0091ivs_C_A909_G910NANNANT01.62 OP25
0101ivs_C_G910_C911AAAAA08360.30 AA08
0111ivs_C_C911_U912AAAAA00850.15 AA00
0121ivs_C_U912_C913AAwAA01650.22 AA01
0131ivs_C_C913_A914AAwAA01300.43 AA01
0141ivs_C_A914_G915AAAAA08300.51 AA08
0151ivs_C_G915_C916NANNANT00.90 AA03
0161ivs_C_C916_G917NANNANT00.94 OP16
0171ivs_C_G917_G918NANNANT01.00 BA16
0181ivs_C_G918_A919NANNANT01.56 IC04
0191ivs_C_A919_A920NANNANT01.24 OP17
0201ivs_C_A920_G921NANNANT01.03 AA01
0211ivs_C_G921_A922AAAAA00760.21 AA00
0221ivs_C_A922_G923AAAAA00760.13 AA00
0231ivs_C_G923_C924AAAAA08900.14 AA08
0241ivs_C_C924_G925AAAAA00780.28 AA00
0251ivs_C_G925_C926AAAAA00810.24 AA00
0261ivs_C_C926_U927AAAAA00510.30 AA00
0271ivs_C_U927_C928AAAAA00900.15 AA00
0281ivs_C_C928_G929NANNANT00.79 AA11
0291ivs_C_G929_C930AAwAA01500.30 AA01
0301ivs_C_C930_C931NANNANT01.18 OP29
0311ivs_C_C931_U932NANNANT01.38 OP06
0321ivs_C_U932_C933NANNANT00.95 OP03
0331ivs_C_C933_A934NANNANT01.12 OP30
0341ivs_C_A934_C935AAAAA00670.21 AA00
0351ivs_C_C935_A936NANNANT00.58 IC02
0361ivs_C_A936_C937NANNANT00.88 OP21
0371ivs_C_C937_G938NANNANT01.52 OP01
0381ivs_C_G938_C939AAAAA00360.31 AA00
0391ivs_C_C939_G940AAAAA00900.10 AA00
0401ivs_C_G940_A941AAAAA00850.20 AA00
0411ivs_C_A941_G942AAwAA10550.16 AA10
0421ivs_C_G942_A943AAAAA00660.18 AA00
0431ivs_C_A943_G944AAAAA00290.45 AA00
0441ivs_C_G944_G945NANNANT00.69 IC04
0451ivs_C_G945_U946NANNANT00.55 OP29
0461ivs_C_U946_C947NANNANT01.49 OP01
0471ivs_C_C947_G948NANNANT01.42 OP05
0481ivs_C_G948_U949AAAAA08210.35 AA08
0491ivs_C_U949_A950AAAAA00820.15 AA00
0501ivs_C_A950_G951AAwAA06870.16 AA06
0511ivs_C_G951_G952AAAAA08800.16 AA08
0521ivs_C_G952_U953AAAAA00660.22 AA00
0531ivs_C_U953_U954AAAAA00720.27 AA00
0541ivs_C_U954_C955OPNOP04750.28 OP04
0551ivs_C_C955_A956AAAAA00330.46 AA00
0561ivs_C_A956_A957NANNANT00.73 AB04
0571ivs_C_A957_G958NANNANT01.35 OP18
0581ivs_C_G958_U959NANNANT00.94 AAS1
0591ivs_C_U959_C960NANNANT00.30 OP12
0601ivs_C_C960_C961AAAAA00620.25 AA00
0611ivs_C_C961_U962AAAAA00750.31 AA00
0621ivs_C_U962_A963AAwAA06770.17 AA06
0631ivs_C_A963_C964AAAAA08710.21 AA08
0641ivs_C_C964_G965AAAAA00780.13 AA00
0651ivs_C_G965_C966AAwAA11900.12 AA11
0661ivs_C_C966_C967AAAAA08120.44 AA08
0671ivs_C_C967_G968AAAAA00870.23 AA00
0681ivs_C_G968_C969AAwAA01700.28 AA01
0691ivs_C_C969_C970AAAAA08870.20 AA08
0701ivs_C_C970_C971AAAAA00790.12 AA00
0711ivs_C_C971_A972AAAAA00750.19 AA00
0721ivs_C_A972_C973OPNOP03200.43 OP03
0731ivs_C_C973_C974NANNANT01.22 IC03
0741ivs_C_C974_A975NANNANT01.43 IC03
0751ivs_D_G901_G902AAwAA01390.24 AA01
0761ivs_D_G902_G903AAwAA11530.43 AA11
0771ivs_D_G903_C904AAAAA08660.22 AA08
0781ivs_D_C904_G905AAAAA00760.18 AA00
0791ivs_D_G905_G906AAAAA00880.19 AA00
0801ivs_D_G906_C907NANNANT00.36 AB04
0811ivs_D_C907_U908NANNANT01.68 OP16
0821ivs_D_U908_A909NANNANT01.24 IC03
0831ivs_D_A909_G910NANNANT01.60 OP25
0841ivs_D_G910_C911AAAAA00690.20 AA00
0851ivs_D_C911_U912AAAAA00900.18 AA00
0861ivs_D_U912_C913AAwAA10610.24 AA10
0871ivs_D_C913_A914AAwAA10440.36 AA10
0881ivs_D_A914_G915AAwAA05380.37 AA05
0891ivs_D_G915_C916NANNANT00.65 IC06
0901ivs_D_C916_G917NANNANT02.07 OP18
0911ivs_D_G917_G918NANNANT00.92 BA16
0921ivs_D_G918_A919NANNANT01.48 IC04
0931ivs_D_A919_A920NANNANT01.29 OP17
0941ivs_D_A920_G921NANNANT00.46 IC07
0951ivs_D_G921_A922AAAAA00680.17 AA00
0961ivs_D_A922_G923AAAAA00850.15 AA00
0971ivs_D_G923_C924AAAAA00800.17 AA00
0981ivs_D_C924_G925AAAAA00740.29 AA00
0991ivs_D_G925_C926AAAAA00850.23 AA00
1001ivs_D_C926_U927AAAAA00450.30 AA00
1011ivs_D_U927_C928AAAAA00520.26 AA00
1021ivs_D_C928_G929AAwAA01650.24 AA01
1031ivs_D_G929_C930AAwAA11700.39 AA11
1041ivs_D_C930_C931NANNANT01.27 OP29
1051ivs_D_C931_U932NANNANT02.26 OP16
1061ivs_D_U932_C933NANNANT01.47 OP03
1071ivs_D_C933_A934NANNANT01.16 OP30
1081ivs_D_A934_C935AAAAA00660.23 AA00
1091ivs_D_C935_A936NANNANT00.62 IC02
1101ivs_D_A936_C937NANNANT00.85 OP21
1111ivs_D_C937_G938NANNANT01.49 OP01
1121ivs_D_G938_C939AAAAA00230.33 AA00
1131ivs_D_C939_G940AAAAA00260.22 AA00
1141ivs_D_G940_A941AAAAA00770.25 AA00
1151ivs_D_A941_G942AAwAA01840.13 AA01
1161ivs_D_G942_A943AAAAA00820.15 AA00
1171ivs_D_A943_G944AAAAA00240.41 AA00
1181ivs_D_G944_G945NANNANT00.54 IC02
1191ivs_D_G945_U946NANNANT01.43 OP17
1201ivs_D_U946_C947NANNANT01.18 OP06
1211ivs_D_C947_G948NANNANT01.42 OP06
1221ivs_D_G948_U949AAAAA00590.26 AA00
1231ivs_D_U949_A950AAAAA00770.18 AA00
1241ivs_D_A950_G951AAwAA01560.24 AA01
1251ivs_D_G951_G952NANNANT00.44 AA10
1261ivs_D_G952_U953AAAAA04140.58 AA04
1271ivs_D_U953_U954AAAAA00720.24 AA00
1281ivs_D_U954_C955OPNOP04430.28 OP04
1291ivs_D_C955_A956AAwAA01390.44 AA01
1301ivs_D_A956_A957NANNANT01.21 AA07
1311ivs_D_A957_G958NANNANT01.75 OP28
1321ivs_D_G958_U959NANNANT00.92 AAS1
1331ivs_D_U959_C960NANNANT00.42 OP12
1341ivs_D_C960_C961AAAAA00250.38 AA00
1351ivs_D_C961_U962AAAAA00160.31 AA00
1361ivs_D_U962_A963AAwAA06790.14 AA06
1371ivs_D_A963_C964AAAAA08540.30 AA08
1381ivs_D_C964_G965AAAAA08750.24 AA08
1391ivs_D_G965_C966AAwAA11750.19 AA11
1401ivs_D_C966_C967AAAAA08280.35 AA08
1411ivs_D_C967_G968AAAAA00820.22 AA00
1421ivs_D_G968_C969AAwAA01790.32 AA01
1431ivs_D_C969_C970AAAAA08840.23 AA08
1441ivs_D_C970_C971AAAAA00680.14 AA00
1451ivs_D_C971_A972AAAAA00520.24 AA00
1461ivs_D_A972_C973NANNANT00.52 OP03
1471ivs_D_C973_C974NANNANT01.22 IC03
1481ivs_D_C974_A975NANNANT00.96 IC07

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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