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Conformers: ABBIImiBZICOPNSYNN
Click the Summary/Torsions/Similar/... tabs for more details.
Crystal structure of AceCas9 bound with guide RNA and DNA with 5'-NNNCC-3' PAM

Results of the assignment of 127 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
0016wbr_B_GTP1_G2AAwAA01170.47 AA01
0026wbr_B_G2_A3AAAAA08700.19 AA08
0036wbr_B_A3_U4AAAAA00890.12 AA00
0046wbr_B_U4_G5AAAAA00920.15 AA00
0056wbr_B_G5_G6AAAAA00470.27 AA00
0066wbr_B_G6_C7AAAAA00850.23 AA00
0076wbr_B_C7_A8AAAAA00930.17 AA00
0086wbr_B_A8_A9AAAAA00910.14 AA00
0096wbr_B_A9_G10AAAAA00640.22 AA00
0106wbr_B_G10_A11AAAAA00840.16 AA00
0116wbr_B_A11_U12AAAAA00910.11 AA00
0126wbr_B_U12_C13AAwAA06880.27 AA06
0136wbr_B_C13_C14AAAAA00780.24 AA00
0146wbr_B_C14_U15AAAAA00850.16 AA00
0156wbr_B_U15_G16AAAAA00800.21 AA00
0166wbr_B_G16_G17AAwAA01870.11 AA01
0176wbr_B_G17_U18NANNANT00.36 AA03
0186wbr_B_U18_A19AAwAA10430.28 AA10
0196wbr_B_A19_U20NANNANT00.38 AA10
0206wbr_B_U20_G21AAAAA08180.47 AA08
0216wbr_B_G21_C22AAAAA00820.14 AA00
0226wbr_B_C22_U23AAAAA00890.16 AA00
0236wbr_B_U23_G24AAAAA00900.11 AA00
0246wbr_B_G24_G25AAAAA00930.15 AA00
0256wbr_B_G25_G26AAwAA01450.23 AA01
0266wbr_B_G26_G27NANNANT00.77 BB03
0276wbr_B_G27_A28NANNANT01.01 BA16
0286wbr_B_A28_G29AAAAA08630.25 AA08
0296wbr_B_G29_C30AAAAA00790.25 AA00
0306wbr_B_C30_C31AAAAA00610.25 AA00
0316wbr_B_C31_U32AAwAA01650.23 AA01
0326wbr_B_U32_G33AAwAA06170.69 AA06
0336wbr_B_G33_A34OPNOP03220.52 OP03
0346wbr_B_A34_A35NANNANT00.85 AA08
0356wbr_B_A35_A36NANNANT01.04 AB04
0366wbr_B_A36_A37NANNANT00.99 AB02
0376wbr_B_A37_G38NANNANT00.47 BA09
0386wbr_B_G38_G39NANNANT00.64 AA10
0396wbr_B_G39_C40NANNANT00.50 AA01
0406wbr_B_C40_U41AAAAA08700.26 AA08
0416wbr_B_U41_A42AAwAA01400.24 AA01
0426wbr_B_A42_C43AAAAA00690.26 AA00
0436wbr_B_C43_C44AAAAA00700.24 AA00
0446wbr_B_C44_U45AAAAA00900.20 AA00
0456wbr_B_U45_A46AAAAA04710.32 AA04
0466wbr_B_A46_G47AAAAA00860.13 AA00
0476wbr_B_G47_C48AAAAA00920.15 AA00
0486wbr_B_C48_A49NANNANT01.68 OP08
0496wbr_B_A49_A50NANNANT00.56 AAS1
0506wbr_B_A50_G51NANNANT00.85 AA10
0516wbr_B_G51_A52AAAAA04860.25 AA04
0526wbr_B_A52_C53NANNANT00.52 AA10
0536wbr_B_C53_C54NANNANT00.44 AA10
0546wbr_B_C54_C55AAAAA00400.42 AA00
0556wbr_B_C55_C56AAAAA00280.18 AA00
0566wbr_B_C56_U57NANNANT00.73 AA05
0576wbr_B_U57_U58NANNANT01.56 OP29
0586wbr_B_U58_C59NANNANT01.92 OP16
0596wbr_B_C59_G60NANNANT00.83 AA13
0606wbr_B_G60_U61NANNANT00.77 IC04
0616wbr_B_U61_G62NANNANT01.09 OP27
0626wbr_B_G62_G63AAwAA06150.36 AA06
0636wbr_B_G63_G64AAwAA01170.49 AA01
0646wbr_B_G64_G65NANNANT00.39 AA10
0656wbr_B_G65_U66NANNANT00.52 AA10
0666wbr_B_U66_C67AAwAA01120.42 AA01
0676wbr_B_C67_G68NANNANT00.44 AA03
0686wbr_B_G68_C69NANNANT00.87 IC02
0696wbr_B_C69_A70NANNANT00.50 OP11
0706wbr_B_A70_U71AAAAA00600.19 AA00
0716wbr_B_U71_U72NANNANT01.57 OP01
0726wbr_B_U72_C73NANNANT01.07 IC03
0736wbr_B_C73_U74NANNANT00.45 OP06
0746wbr_B_U74_U75AAAAA00200.48 AA00
0756wbr_B_U75_C76AAAAA00530.27 AA00
0766wbr_B_C76_A77NANNANT00.44 AA03
0776wbr_B_A77_C78AAwAA01160.37 AA01
0786wbr_B_C78_C79NANNANT00.39 AA03
0796wbr_B_C79_C80NANNANT00.58 AA06
0806wbr_B_C80_C81NANNANT00.68 AA01
0816wbr_B_C81_C82NANNANT00.77 AA11
0826wbr_B_A86_G87NANNANT00.71 BA16
0836wbr_B_G87_G88AAwAA01420.42 AA01
0846wbr_B_G88_G89AAAAA03620.29 AA03
0856wbr_B_G89_G90AAwAA01760.25 AA01
0866wbr_B_G90_G91AAAAA00560.26 AA00
0876wbr_B_G91_U92AAAAA00930.23 AA00
0886wbr_B_U92_U93NANNANT00.37 OP28
0896wbr_B_U93_C94NANNANT01.30 IC03
0906wbr_C_DC-10_DG-9NANNANT00.61 BB02
0916wbr_C_DG-9_DC-8NANNANT00.35 BA05
0926wbr_C_DC-8_DC-7BBwBB02130.42 BB02
0936wbr_C_DC-7_DA-6BBBBB00340.48 BB00
0946wbr_C_DA-6_DG-5BBBBB00440.44 BB00
0956wbr_C_DG-5_DG-4BBBBB00720.19 BB00
0966wbr_C_DG-4_DT-3BBBBB00840.20 BB00
0976wbr_C_DT-3_DA-2B12BB04760.28 BB04
0986wbr_C_DA-2_DT-1NANNANT00.54 BB05
0996wbr_C_DT-1_DA1NANNANT00.46 OP17
1006wbr_C_DA1_DT2BBBBB00150.42 BB00
1016wbr_C_DT2_DA3B-ABA05290.30 BA05
1026wbr_C_DA3_DC4AAwAA01510.36 AA01
1036wbr_C_DC4_DC5AAAAA00560.29 AA00
1046wbr_C_DC5_DA6A-BAB03220.53 AB03
1056wbr_C_DA6_DG7BBBBB00430.21 BB00
1066wbr_C_DG7_DG8NANNANT00.33 BA13
1076wbr_C_DG8_DA9NANNANT00.58 AA06
1086wbr_C_DA9_DT10AAAAA00830.34 AA00
1096wbr_C_DT10_DC11NANNANT00.70 BB2S
1106wbr_C_DC11_DT12SYNAAS1470.48 AAS1
1116wbr_C_DT12_DT13AAwAA01370.33 AA01
1126wbr_C_DT13_DG14AAAAA08790.27 AA08
1136wbr_C_DG14_DC15AAAAA00930.26 AA00
1146wbr_C_DC15_DC16AAAAA00940.24 AA00
1156wbr_C_DC16_DA17AAAAA00480.32 AA00
1166wbr_C_DA17_DT18A-BAB01500.28 AB01
1176wbr_C_DT18_DC19B-ABA10200.47 BA10
1186wbr_C_DC19_DC20NANNANT00.40 AA10
1196wbr_D_DA1_DT2BBBBB00440.23 BB00
1206wbr_D_DT2_DA3BBBBB00250.27 BB00
1216wbr_D_DA3_DC4B-ABA13740.17 BA13
1226wbr_D_DC4_DC5AAAAA00440.22 AA00
1236wbr_D_DC5_DT6NANNANT00.46 AB04
1246wbr_D_DT6_DG7BBBBB01330.35 BB01
1256wbr_D_DG7_DG8NANNANT00.59 BB15
1266wbr_D_DG8_DC9NANNANT00.44 BB02
1276wbr_D_DC9_DG10B-ABA08800.20 BA08

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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