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Conformers: ABBIImiBZICOPNSYNN
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CRE RECOMBINASE/DNA COMPLEX REACTION INTERMEDIATE I

Results of the assignment of 64 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
011crx_C_DT1_DA2NANNANT00.51 BB03
021crx_C_DA2_DT3BBBBB00820.27 BB00
031crx_C_DT3_DA4BB2BB07900.25 BB07
041crx_C_DA4_DA5BBBBB00770.26 BB00
051crx_C_DA5_DC6NANNANT00.63 BB02
061crx_C_DC6_DT7BBBBB00560.37 BB00
071crx_C_DT7_DT8BBBBB00910.10 BB00
081crx_C_DT8_DC9miBBB15780.22 BB15
091crx_C_DC9_DG10B12BB04870.10 BB04
101crx_C_DG10_DT11B12BB04890.14 BB04
111crx_C_DT11_DA12BBBBB00920.13 BB00
121crx_C_DA12_DT13BBBBB00890.23 BB00
131crx_C_DT13_DA14B12BB04660.27 BB04
141crx_C_DA14_DG15BBBBB00610.26 BB00
151crx_D_DA1_DT2BBBBB00400.41 BB00
161crx_D_DT2_DA3miBBB13480.39 BB13
171crx_D_DA3_DT4BBBBB00190.44 BB00
181crx_D_DT4_DG5BBBBB00870.26 BB00
191crx_D_DG5_DC6BB2BB07790.23 BB07
201crx_D_DC6_DT7BBBBB00910.22 BB00
211crx_D_DT7_DA8B12BB04750.18 BB04
221crx_D_DA8_DT9BBBBB00610.28 BB00
231crx_D_DT9_DA10NANNANT00.45 BB02
241crx_D_DA10_DC11BBBBB00420.36 BB00
251crx_D_DC11_DG12BB2BB07930.19 BB07
261crx_D_DG12_DA13BBBBB00940.16 BB00
271crx_D_DA13_DA14BB2BB07530.25 BB07
281crx_D_DA14_DG15BBBBB00760.18 BB00
291crx_D_DG15_DT16BBBBB00810.29 BB00
301crx_D_DT16_DT17BBBBB00700.32 BB00
311crx_D_DT17_DA18B12BB04630.28 BB04
321crx_D_DA18_DT19BBwBB11910.20 BB11
331crx_E_DA2_DT3BBBBB00650.45 BB00
341crx_E_DT3_DA4BB2BB07970.21 BB07
351crx_E_DA4_DA5BBBBB00720.34 BB00
361crx_E_DA5_DC6NANNANT00.34 BB05
371crx_E_DC6_DT7BBBBB00420.36 BB00
381crx_E_DT7_DT8BBBBB00880.12 BB00
391crx_E_DT8_DC9BBwBB02860.16 BB02
401crx_E_DC9_DG10BBBBB00860.29 BB00
411crx_E_DG10_DT11BBBBB00760.17 BB00
421crx_E_DT11_DA12B12BB04720.22 BB04
431crx_E_DA12_DT13BBBBB00820.27 BB00
441crx_E_DT13_DA14B12BB04730.24 BB04
451crx_E_DA14_DG15BBBBB00880.14 BB00
461crx_E_DG15_DC16miBBB12690.29 BB12
471crx_F_DA1_DT2BBwBB16360.33 BB16
481crx_F_DT2_DA3NANNANT00.79 BB07
491crx_F_DA3_DT4miBBB13330.41 BB13
501crx_F_DT4_DG5NANNANT00.88 BB15
511crx_F_DG5_DC6BBBBB00320.41 BB00
521crx_F_DC6_DT7BB2BB07690.30 BB07
531crx_F_DT7_DA8B12BB04320.26 BB04
541crx_F_DA8_DT9BBBBB00320.36 BB00
551crx_F_DT9_DA10BBBBB00350.44 BB00
561crx_F_DA10_DC11BBBBB00450.23 BB00
571crx_F_DC11_DG12BB2BB07580.25 BB07
581crx_F_DG12_DA13BBBBB00970.13 BB00
591crx_F_DA13_DA14BBBBB00650.21 BB00
601crx_F_DA14_DG15B12BB04920.13 BB04
611crx_F_DG15_DT16BBBBB00770.29 BB00
621crx_F_DT16_DT17BBBBB00830.26 BB00
631crx_F_DT17_DA18BB2BB08380.42 BB08
641crx_F_DA18_DT19miBBB12280.41 BB12

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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