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Conformers: ABBIImiBZICOPNSYNN
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ATP binds to Cyclic GMP AMP synthase (cGAS) through Mg coordination

Results of the assignment of 68 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
017uux_E_DA1_DT2A-BAB05120.21 AB05
027uux_E_DT2_DC3BBBBB00790.15 BB00
037uux_E_DC3_DT4BBBBB00760.16 BB00
047uux_E_DT4_DG5BB2BB07700.33 BB07
057uux_E_DG5_DT6BBBBB00770.21 BB00
067uux_E_DT6_DA7BBBBB00700.19 BB00
077uux_E_DA7_DC8BBBBB00650.37 BB00
087uux_E_DC8_DA9BBBBB00850.19 BB00
097uux_E_DA9_DT10BBBBB01920.11 BB01
107uux_E_DT10_DG11BBBBB01930.16 BB01
117uux_E_DG11_DT12BBBBB00710.25 BB00
127uux_E_DT12_DA13BB2BB07740.27 BB07
137uux_E_DA13_DC14BBBBB00930.11 BB00
147uux_E_DC14_DA15BBBBB00610.30 BB00
157uux_E_DA15_DG16B12BB04820.19 BB04
167uux_E_DG16_DA17BBBBB00840.15 BB00
177uux_E_DA17_DT18BBBBB01670.18 BB01
187uux_F_DA1_DT2A-BAB05140.21 AB05
197uux_F_DT2_DC3BBBBB00780.15 BB00
207uux_F_DC3_DT4BBBBB00720.15 BB00
217uux_F_DT4_DG5B12BB04780.26 BB04
227uux_F_DG5_DT6BBBBB00870.19 BB00
237uux_F_DT6_DA7BBBBB00870.15 BB00
247uux_F_DA7_DC8BBBBB00860.22 BB00
257uux_F_DC8_DA9BB2BB07640.30 BB07
267uux_F_DA9_DT10BBBBB01910.17 BB01
277uux_F_DT10_DG11BBBBB01130.28 BB01
287uux_F_DG11_DT12BBBBB00870.20 BB00
297uux_F_DT12_DA13BB2BB07530.33 BB07
307uux_F_DA13_DC14BBBBB00890.17 BB00
317uux_F_DC14_DA15BB2BB07230.45 BB07
327uux_F_DA15_DG16BBBBB00820.20 BB00
337uux_F_DG16_DA17BBBBB00760.28 BB00
347uux_F_DA17_DT18BBBBB01640.16 BB01
357uux_I_DA1_DT2A-BAB01390.32 AB01
367uux_I_DT2_DC3BBBBB01860.12 BB01
377uux_I_DC3_DT4BBBBB00630.26 BB00
387uux_I_DT4_DG5BBBBB00860.19 BB00
397uux_I_DG5_DT6BBBBB00730.20 BB00
407uux_I_DT6_DA7BBBBB00640.17 BB00
417uux_I_DA7_DC8BBBBB00730.24 BB00
427uux_I_DC8_DA9BB2BB07580.29 BB07
437uux_I_DA9_DT10BBBBB01800.20 BB01
447uux_I_DT10_DG11B-ABA10430.34 BA10
457uux_I_DG11_DT12A-BAB01210.36 AB01
467uux_I_DT12_DA13BBBBB00410.30 BB00
477uux_I_DA13_DC14BBBBB00890.17 BB00
487uux_I_DC14_DA15B12BB04590.22 BB04
497uux_I_DA15_DG16BBBBB00870.18 BB00
507uux_I_DG16_DA17BBBBB00800.24 BB00
517uux_I_DA17_DT18BBBBB01650.16 BB01
527uux_J_DA1_DT2A-BAB05120.20 AB05
537uux_J_DT2_DC3BBBBB00790.14 BB00
547uux_J_DC3_DT4BBBBB00770.15 BB00
557uux_J_DT4_DG5BBBBB00840.20 BB00
567uux_J_DG5_DT6BBBBB00760.23 BB00
577uux_J_DT6_DA7BBBBB00820.17 BB00
587uux_J_DA7_DC8BBBBB00880.16 BB00
597uux_J_DC8_DA9BBBBB00670.36 BB00
607uux_J_DA9_DT10BBBBB01810.26 BB01
617uux_J_DT10_DG11BBBBB00740.17 BB00
627uux_J_DG11_DT12BBBBB00890.23 BB00
637uux_J_DT12_DA13BB2BB07660.30 BB07
647uux_J_DA13_DC14BBBBB00810.21 BB00
657uux_J_DC14_DA15BB2BB07630.28 BB07
667uux_J_DA15_DG16BBBBB00840.20 BB00
677uux_J_DG16_DA17BBBBB00800.26 BB00
687uux_J_DA17_DT18BBBBB01600.17 BB01

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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