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Conformers: ABBIImiBZICOPNSYNN
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Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-G12A mutant in Mn2+

Results of the assignment of 66 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
015dh7_A_G1_G2AAAAA00770.16 AA00
025dh7_A_G2_G3AAAAA00810.17 AA00
035dh7_A_G3_U4AAAAA00900.17 AA00
045dh7_A_U4_A5AAAAA00900.10 AA00
055dh7_A_A5_C6AAAAA00770.18 AA00
065dh7_A_C6_U7AAAAA00940.13 AA00
075dh7_A_U7_U8AAAAA00840.21 AA00
085dh7_A_U8_A9ZZZZZ01940.14 ZZ01
095dh7_A_A9_A10NANNANT01.61 OP16
105dh7_A_A10_G11OPNOP11550.63 OP11
115dh7_A_G11_C12AAAAA00930.09 AA00
125dh7_A_C12_C13AAAAA08870.16 AA08
135dh7_A_C13_C14AAAAA00920.14 AA00
145dh7_A_C14_A15AAAAA00930.14 AA00
155dh7_A_A15_C16A-BAB05740.33 AB05
165dh7_A_C16_U17NANNANT00.64 BA17
175dh7_A_U17_G18OPNOP03790.30 OP03
185dh7_A_G18_A19AAAAA08890.21 AA08
195dh7_A_A19_U20NANNANT00.79 IC03
205dh7_A_U20_G21ZZZZZ02250.50 ZZ02
215dh7_A_G21_A22NANNANT00.55 OP02
225dh7_A_A22_G23AAAAA00760.28 AA00
235dh7_A_G23_U24AAAAA00900.12 AA00
245dh7_A_U24_C25AAAAA00830.12 AA00
255dh7_A_C25_G26AAAAA00860.12 AA00
265dh7_A_G26_C27AAAAA00820.13 AA00
275dh7_A_C27_U28AAAAA00810.13 AA00
285dh7_A_U28_G29AAAAA08810.24 AA08
295dh7_A_G29_G30OPNOP04740.12 OP04
305dh7_A_G30_G31AAAAA08840.29 AA08
315dh7_A_G31_A32ICLIC04830.23 IC04
325dh7_A_A32_U33NANNANT00.84 OP25
335dh7_A_U33_G34OPNOP12700.51 OP12
345dh7_A_G34_C35AAAAA00860.14 AA00
355dh7_A_C35_G36AAAAA00910.11 AA00
365dh7_A_G36_A37AAAAA00860.12 AA00
375dh7_A_A37_C38AAwAA01630.24 AA01
385dh7_A_C38_A39NANNANT00.82 AA08
395dh7_A_A39_A40AAuAA07880.28 AA07
405dh7_A_A40_A41AAAAA08870.17 AA08
415dh7_A_A41_A42AAAAA00690.29 AA00
425dh7_A_A42_C43AAAAA00800.13 AA00
435dh7_A_C43_G44AAAAA08850.16 AA08
445dh7_A_G44_C45AAAAA00880.10 AA00
455dh7_A_C45_C46AAAAA00900.13 AA00
465dh7_A_C46_C47AAAAA00820.17 AA00
475dh7_A_C47_A48AAAAA08770.32 AA08
485dh7_B_G1_G2AAAAA00900.12 AA00
495dh7_B_G2_G3AAAAA00870.15 AA00
505dh7_B_G3_C4AAAAA00950.10 AA00
515dh7_B_C4_G5AAAAA00930.15 AA00
525dh7_B_G5_U6AAAAA00900.13 AA00
535dh7_B_U6_DC7A-BAB05670.39 AB05
545dh7_B_DC7_U8NANNANT01.38 OP06
555dh7_B_U8_G9AAAAA00910.11 AA00
565dh7_B_G9_G10AAAAA00860.17 AA00
575dh7_B_G10_G11AAAAA00870.12 AA00
585dh7_B_G11_C12AAAAA00920.16 AA00
595dh7_B_C12_A13NANNANT00.97 IC03
605dh7_B_A13_G14NANNANT01.07 OP16
615dh7_B_G14_U15AAAAA00720.18 AA00
625dh7_B_U15_A16AAAAA00900.10 AA00
635dh7_B_A16_C17AAAAA00940.10 AA00
645dh7_B_C17_C18AAAAA00850.15 AA00
655dh7_B_C18_C19AAAAA00880.17 AA00
665dh7_B_C19_A20AAAAA00870.14 AA00

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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