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Conformers: ABBIImiBZICOPNSYNN
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Nucleosome core particle containing adducts from treatment with a thiomorpholine-substituted [(eta-6-p-cymene)Ru(3-hydroxy-2-pyridone)Cl] compound

Results of the assignment of 288 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
0014xuj_I_DA-72_DT-71BBwBB17490.40 BB17
0024xuj_I_DT-71_DC-70miBBB14860.18 BB14
0034xuj_I_DC-70_DA-69miBBB10650.37 BB10
0044xuj_I_DA-69_DA-68BB2BB07640.21 BB07
0054xuj_I_DA-68_DT-67BBBBB00450.33 BB00
0064xuj_I_DT-67_DA-66BB2BB07820.25 BB07
0074xuj_I_DA-66_DT-65BBBBB00830.18 BB00
0084xuj_I_DT-65_DC-64miBBB10400.29 BB10
0094xuj_I_DC-64_DC-63NANNANT00.53 BB02
0104xuj_I_DC-63_DA-62miBBB10500.34 BB10
0114xuj_I_DA-62_DC-61NANNANT00.42 BA08
0124xuj_I_DC-61_DC-60BBwBB17820.17 BB17
0134xuj_I_DC-60_DT-59B12BB04230.33 BB04
0144xuj_I_DT-59_DG-58BBBBB00110.45 BB00
0154xuj_I_DG-58_DC-57BBBBB00800.26 BB00
0164xuj_I_DC-57_DA-56BB2BB07570.39 BB07
0174xuj_I_DA-56_DG-55miBBB10400.40 BB10
0184xuj_I_DG-55_DA-54B12BB04250.19 BB04
0194xuj_I_DA-54_DT-53miBBB10390.26 BB10
0204xuj_I_DT-53_DA-52NANNANT00.32 BB17
0214xuj_I_DA-52_DC-51NANNANT00.41 BB10
0224xuj_I_DC-51_DT-50miBBB14550.31 BB14
0234xuj_I_DT-50_DA-49B-ABA05290.34 BA05
0244xuj_I_DA-49_DC-48BBBBB01280.33 BB01
0254xuj_I_DC-48_DC-47miBBB10740.21 BB10
0264xuj_I_DC-47_DA-46BB2BB07160.29 BB07
0274xuj_I_DA-46_DA-45miBBB10540.38 BB10
0284xuj_I_DA-45_DA-44B12BB05720.27 BB05
0294xuj_I_DA-44_DA-43BBwBB16730.37 BB16
0304xuj_I_DA-43_DG-42BBBBB01290.38 BB01
0314xuj_I_DG-42_DT-41BBBBB01400.32 BB01
0324xuj_I_DT-41_DG-40A-BAB03630.31 AB03
0334xuj_I_DG-40_DT-39BBBBB00530.24 BB00
0344xuj_I_DT-39_DA-38miBBB10500.41 BB10
0354xuj_I_DA-38_DT-37BBwBB17470.28 BB17
0364xuj_I_DT-37_DT-36BBBBB00410.43 BB00
0374xuj_I_DT-36_DT-35BBBBB01770.20 BB01
0384xuj_I_DT-35_DG-34BB2BB07370.33 BB07
0394xuj_I_DG-34_DG-33BBBBB00820.24 BB00
0404xuj_I_DG-33_DA-32BB2BB07350.21 BB07
0414xuj_I_DA-32_DA-31BBwBB17600.30 BB17
0424xuj_I_DA-31_DA-30miBBB10730.21 BB10
0434xuj_I_DA-30_DC-29B12BB04110.31 BB04
0444xuj_I_DC-29_DT-28BBwBB17800.22 BB17
0454xuj_I_DT-28_DG-27BB2BB07710.19 BB07
0464xuj_I_DG-27_DC-26B12BB04180.41 BB04
0474xuj_I_DC-26_DT-25NANNANT00.58 BB08
0484xuj_I_DT-25_DC-24BBBBB00480.69 BB00
0494xuj_I_DC-24_DC-23BB2BB07560.22 BB07
0504xuj_I_DC-23_DA-22BBBBB00450.47 BB00
0514xuj_I_DA-22_DT-21BBBBB01780.21 BB01
0524xuj_I_DT-21_DC-20A-BAB03780.20 AB03
0534xuj_I_DC-20_DA-19miBBB10540.41 BB10
0544xuj_I_DA-19_DA-18BBBBB00230.37 BB00
0554xuj_I_DA-18_DA-17B12BB04150.21 BB04
0564xuj_I_DA-17_DA-16BBBBB01740.24 BB01
0574xuj_I_DA-16_DG-15NANNANT00.29 BB10
0584xuj_I_DG-15_DG-14BB2BB07250.42 BB07
0594xuj_I_DG-14_DC-13BBBBB00290.32 BB00
0604xuj_I_DC-13_DA-12BB2BB07570.31 BB07
0614xuj_I_DA-12_DT-11B-ABA05400.29 BA05
0624xuj_I_DT-11_DG-10NANNANT00.55 BB10
0634xuj_I_DG-10_DT-9BBBBB00340.48 BB00
0644xuj_I_DT-9_DT-8BBBBB01610.16 BB01
0654xuj_I_DT-8_DC-7BBBBB00200.41 BB00
0664xuj_I_DC-7_DA-6BB2BB07520.40 BB07
0674xuj_I_DA-6_DG-5BBBBB00510.31 BB00
0684xuj_I_DG-5_DC-4BB2BB07570.24 BB07
0694xuj_I_DC-4_DT-3BBBBB00690.30 BB00
0704xuj_I_DT-3_DG-2BBBBB00820.27 BB00
0714xuj_I_DG-2_DA-1B12BB04720.13 BB04
0724xuj_I_DA-1_DA0miBBB15660.24 BB15
0734xuj_I_DA0_DT1BBBBB00650.19 BB00
0744xuj_I_DT1_DC2BBBBB01670.23 BB01
0754xuj_I_DC2_DA3B12BB04290.35 BB04
0764xuj_I_DA3_DG4BBBBB00740.26 BB00
0774xuj_I_DG4_DC5miBBB10560.29 BB10
0784xuj_I_DC5_DT6NANNANT00.29 BB07
0794xuj_I_DT6_DG7BB2BB07250.45 BB07
0804xuj_I_DG7_DA8B12BB04770.28 BB04
0814xuj_I_DA8_DA9BBBBB00710.20 BB00
0824xuj_I_DA9_DC10BBBBB00710.22 BB00
0834xuj_I_DC10_DA11B12BB04320.21 BB04
0844xuj_I_DA11_DT12BBBBB00900.20 BB00
0854xuj_I_DT12_DG13miBBB10830.29 BB10
0864xuj_I_DG13_DC14NANNANT00.47 BA08
0874xuj_I_DC14_DC15NANNANT00.51 BB07
0884xuj_I_DC15_DT16B12BB0490.32 BB04
0894xuj_I_DT16_DT17BBBBB00640.38 BB00
0904xuj_I_DT17_DT18BBBBB00870.15 BB00
0914xuj_I_DT18_DT19B12BB04350.43 BB04
0924xuj_I_DT19_DG20BBBBB00620.39 BB00
0934xuj_I_DG20_DA21miBBB10600.45 BB10
0944xuj_I_DA21_DT22NANNANT00.86 BB16
0954xuj_I_DT22_DG23NANNANT00.33 BB11
0964xuj_I_DG23_DG24BBwBB17320.38 BB17
0974xuj_I_DG24_DA25BB2BB07570.45 BB07
0984xuj_I_DA25_DG26BBBBB00760.28 BB00
0994xuj_I_DG26_DC27BB2BB07450.23 BB07
1004xuj_I_DC27_DA28BBBBB00580.32 BB00
1014xuj_I_DA28_DG29B12BB04640.22 BB04
1024xuj_I_DG29_DT30B-ABA01130.30 BA01
1034xuj_I_DT30_DT31NANNANT00.33 BB17
1044xuj_I_DT31_DT32miBBB10460.34 BB10
1054xuj_I_DT32_DC33BBwBB17450.28 BB17
1064xuj_I_DC33_DC34B12BB04420.24 BB04
1074xuj_I_DC34_DA35BB2BB07160.35 BB07
1084xuj_I_DA35_DA36BBBBB00850.23 BB00
1094xuj_I_DA36_DA37miBBB10800.33 BB10
1104xuj_I_DA37_DT38BBBBB00690.31 BB00
1114xuj_I_DT38_DA39BBBBB00680.18 BB00
1124xuj_I_DA39_DC40NANNANT00.56 AA04
1134xuj_I_DC40_DA41A-BAB01830.38 AB01
1144xuj_I_DA41_DC42miBBB10840.16 BB10
1154xuj_I_DC42_DT43BBwBB17810.33 BB17
1164xuj_I_DT43_DT44BBBBB00380.41 BB00
1174xuj_I_DT44_DT45B-ABA08650.29 BA08
1184xuj_I_DT45_DT46A-BAB02300.31 AB02
1194xuj_I_DT46_DG47BBBBB00500.38 BB00
1204xuj_I_DG47_DG48BBBBB00850.23 BB00
1214xuj_I_DG48_DT49B-ABA01160.24 BA01
1224xuj_I_DT49_DA50NANNANT00.24 BB10
1234xuj_I_DA50_DG51miBBB10590.29 BB10
1244xuj_I_DG51_DT52B-ABA05190.35 BA05
1254xuj_I_DT52_DA53B-ABA05120.57 BA05
1264xuj_I_DA53_DT54BBwBB17700.25 BB17
1274xuj_I_DT54_DC55BBBBB00520.35 BB00
1284xuj_I_DC55_DT56BBBBB00720.20 BB00
1294xuj_I_DT56_DG57BB2BB07620.37 BB07
1304xuj_I_DG57_DC58BBBBB00480.34 BB00
1314xuj_I_DC58_DA59BB2BB07860.31 BB07
1324xuj_I_DA59_DG60NANNANT00.41 BB11
1334xuj_I_DG60_DG61BBBBB01240.38 BB01
1344xuj_I_DG61_DT62BBBBB01340.32 BB01
1354xuj_I_DT62_DG63BBwBB17440.39 BB17
1364xuj_I_DG63_DG64miBBB14710.28 BB14
1374xuj_I_DG64_DA65B12BB04220.32 BB04
1384xuj_I_DA65_DT66BBBBB00220.33 BB00
1394xuj_I_DT66_DA67miBBB10780.34 BB10
1404xuj_I_DA67_DT68BBBBB00690.21 BB00
1414xuj_I_DT68_DT69BBBBB00940.12 BB00
1424xuj_I_DT69_DG70BBBBB00950.15 BB00
1434xuj_I_DG70_DA71B12BB04510.18 BB04
1444xuj_I_DA71_DT72B-ABA01210.23 BA01
1454xuj_J_DA-72_DT-71NANNANT00.50 AB04
1464xuj_J_DT-71_DC-70NANNANT00.51 AB02
1474xuj_J_DC-70_DA-69B12BB04570.28 BB04
1484xuj_J_DA-69_DA-68BB2BB07240.30 BB07
1494xuj_J_DA-68_DT-67BBBBB00520.29 BB00
1504xuj_J_DT-67_DA-66BB2BB07640.24 BB07
1514xuj_J_DA-66_DT-65BBBBB00740.23 BB00
1524xuj_J_DT-65_DC-64BBBBB00150.27 BB00
1534xuj_J_DC-64_DC-63A-BAB03820.20 AB03
1544xuj_J_DC-63_DA-62B12BB04350.29 BB04
1554xuj_J_DA-62_DC-61BBBBB00690.19 BB00
1564xuj_J_DC-61_DC-60BBBBB00790.26 BB00
1574xuj_J_DC-60_DT-59BBBBB00620.28 BB00
1584xuj_J_DT-59_DG-58BB2BB07510.41 BB07
1594xuj_J_DG-58_DC-57miBBB14620.35 BB14
1604xuj_J_DC-57_DA-56BB2BB07520.37 BB07
1614xuj_J_DA-56_DG-55BBBBB00540.31 BB00
1624xuj_J_DG-55_DA-54B-ABA08720.32 BA08
1634xuj_J_DA-54_DT-53BBBBB01160.26 BB01
1644xuj_J_DT-53_DA-52NANNANT00.41 BA08
1654xuj_J_DA-52_DC-51BBwBB17770.16 BB17
1664xuj_J_DC-51_DT-50NANNANT00.36 BB10
1674xuj_J_DT-50_DA-49miBBB14280.33 BB14
1684xuj_J_DA-49_DC-48BBBBB00130.42 BB00
1694xuj_J_DC-48_DC-47NANNANT00.55 BA08
1704xuj_J_DC-47_DA-46NANNANT00.52 BA17
1714xuj_J_DA-46_DA-45miBBB10540.35 BB10
1724xuj_J_DA-45_DA-44NANNANT00.48 BB08
1734xuj_J_DA-44_DA-43NANNANT00.61 BB17
1744xuj_J_DA-43_DG-42B12BB04260.29 BB04
1754xuj_J_DG-42_DT-41BBBBB00510.26 BB00
1764xuj_J_DT-41_DG-40NANNANT00.39 BB17
1774xuj_J_DG-40_DT-39BBwBB17350.39 BB17
1784xuj_J_DT-39_DA-38miBBB14650.21 BB14
1794xuj_J_DA-38_DT-37BBBBB00680.36 BB00
1804xuj_J_DT-37_DT-36miBBB10460.31 BB10
1814xuj_J_DT-36_DT-35BBBBB00350.24 BB00
1824xuj_J_DT-35_DG-34BB2BB07230.35 BB07
1834xuj_J_DG-34_DG-33BBBBB00580.31 BB00
1844xuj_J_DG-33_DA-32BB2BB07430.44 BB07
1854xuj_J_DA-32_DA-31NANNANT00.45 BB14
1864xuj_J_DA-31_DA-30NANNANT00.34 BB14
1874xuj_J_DA-30_DC-29BBBBB01770.22 BB01
1884xuj_J_DC-29_DT-28BBBBB00570.30 BB00
1894xuj_J_DT-28_DG-27B12BB04600.33 BB04
1904xuj_J_DG-27_DC-26BBBBB00790.37 BB00
1914xuj_J_DC-26_DT-25BB2BB07760.31 BB07
1924xuj_J_DT-25_DC-24NANNANT00.50 BB10
1934xuj_J_DC-24_DC-23BB2BB07520.32 BB07
1944xuj_J_DC-23_DA-22BBBBB00740.31 BB00
1954xuj_J_DA-22_DT-21BBBBB01270.33 BB01
1964xuj_J_DT-21_DC-20B-ABA08620.31 BA08
1974xuj_J_DC-20_DA-19NANNANT00.51 BB17
1984xuj_J_DA-19_DA-18NANNANT00.36 BB04
1994xuj_J_DA-18_DA-17miBBB10690.28 BB10
2004xuj_J_DA-17_DA-16BB2BB07700.23 BB07
2014xuj_J_DA-16_DG-15B12BB04540.33 BB04
2024xuj_J_DG-15_DG-14BB2BB07370.47 BB07
2034xuj_J_DG-14_DC-13BBBBB00220.30 BB00
2044xuj_J_DC-13_DA-12BBBBB00360.25 BB00
2054xuj_J_DA-12_DT-11BBBBB01300.29 BB01
2064xuj_J_DT-11_DG-10BBBBB00240.41 BB00
2074xuj_J_DG-10_DT-9BBBBB00190.25 BB00
2084xuj_J_DT-9_DT-8B-ABA08640.42 BA08
2094xuj_J_DT-8_DC-7A-BAB03790.24 AB03
2104xuj_J_DC-7_DA-6BB2BB07630.30 BB07
2114xuj_J_DA-6_DG-5BBBBB00620.23 BB00
2124xuj_J_DG-5_DC-4BB2BB07340.24 BB07
2134xuj_J_DC-4_DT-3BBBBB00580.23 BB00
2144xuj_J_DT-3_DG-2BBBBB00790.21 BB00
2154xuj_J_DG-2_DA-1BBBBB00810.35 BB00
2164xuj_J_DA-1_DT0BBBBB00750.22 BB00
2174xuj_J_DT0_DT1BBBBB00660.23 BB00
2184xuj_J_DT1_DC2BBBBB00400.28 BB00
2194xuj_J_DC2_DA3miBBB10640.49 BB10
2204xuj_J_DA3_DG4miBBB10500.22 BB10
2214xuj_J_DG4_DC5B-ABA17700.20 BA17
2224xuj_J_DC5_DT6NANNANT00.41 AB02
2234xuj_J_DT6_DG7NANNANT00.99 OP24
2244xuj_J_DG7_DA8B12BB04570.30 BB04
2254xuj_J_DA8_DA9B-ABA05610.28 BA05
2264xuj_J_DA9_DC10AAAAA02350.49 AA02
2274xuj_J_DC10_DA11NANNANT00.73 BB17
2284xuj_J_DA11_DT12BBBBB00730.26 BB00
2294xuj_J_DT12_DG13NANNANT00.45 BB07
2304xuj_J_DG13_DC14BB2BB07510.28 BB07
2314xuj_J_DC14_DC15NANNANT00.47 BB10
2324xuj_J_DC15_DT16miBBB10620.49 BB10
2334xuj_J_DT16_DT17BBBBB00300.33 BB00
2344xuj_J_DT17_DT18BBBBB01580.17 BB01
2354xuj_J_DT18_DT19BBBBB00670.15 BB00
2364xuj_J_DT19_DG20B12BB04120.44 BB04
2374xuj_J_DG20_DA21miBBB10730.33 BB10
2384xuj_J_DA21_DT22BBBBB00670.31 BB00
2394xuj_J_DT22_DG23NANNANT00.50 BB11
2404xuj_J_DG23_DG24NANNANT00.49 BB17
2414xuj_J_DG24_DA25BB2BB07610.25 BB07
2424xuj_J_DA25_DG26BBBBB00760.30 BB00
2434xuj_J_DG26_DC27BB2BB07540.20 BB07
2444xuj_J_DC27_DA28BBBBB00570.22 BB00
2454xuj_J_DA28_DG29B12BB04570.18 BB04
2464xuj_J_DG29_DT30BBBBB00800.21 BB00
2474xuj_J_DT30_DT31BBBBB00650.26 BB00
2484xuj_J_DT31_DT32miBBB10250.37 BB10
2494xuj_J_DT32_DC33B12BB04400.39 BB04
2504xuj_J_DC33_DC34BB2BB07590.24 BB07
2514xuj_J_DC34_DA35BB2BB07580.27 BB07
2524xuj_J_DA35_DA36BBBBB00570.31 BB00
2534xuj_J_DA36_DA37B-ABA08630.27 BA08
2544xuj_J_DA37_DT38A-BAB01380.36 AB01
2554xuj_J_DT38_DA39BBBBB00630.32 BB00
2564xuj_J_DA39_DC40NANNANT00.40 AB03
2574xuj_J_DC40_DA41A-BAB03530.39 AB03
2584xuj_J_DA41_DC42BBwBB11410.30 BB11
2594xuj_J_DC42_DT43BBwBB17360.23 BB17
2604xuj_J_DT43_DT44BBBBB00530.43 BB00
2614xuj_J_DT44_DT45BBBBB01700.19 BB01
2624xuj_J_DT45_DT46NANNANT00.39 BB10
2634xuj_J_DT46_DG47BB2BB07310.25 BB07
2644xuj_J_DG47_DG48NANNANT00.41 BB03
2654xuj_J_DG48_DT49BBBBB00230.36 BB00
2664xuj_J_DT49_DA50NANNANT00.69 BB07
2674xuj_J_DA50_DG51miBBB10810.31 BB10
2684xuj_J_DG51_DT52BBBBB01350.28 BB01
2694xuj_J_DT52_DA53B-ABA05410.37 BA05
2704xuj_J_DA53_DT54A-BAB01620.29 AB01
2714xuj_J_DT54_DC55BBBBB00340.41 BB00
2724xuj_J_DC55_DT56BBwBB17600.32 BB17
2734xuj_J_DT56_DG57NANNANT00.55 BB10
2744xuj_J_DG57_DC58BBBBB00760.18 BB00
2754xuj_J_DC58_DA59BB2BB07580.21 BB07
2764xuj_J_DA59_DG60BBBBB00770.29 BB00
2774xuj_J_DG60_DG61B-ABA08720.25 BA08
2784xuj_J_DG61_DT62NANNANT00.43 AA04
2794xuj_J_DT62_DG63A-BAB05370.39 AB05
2804xuj_J_DG63_DG64miBBB10800.22 BB10
2814xuj_J_DG64_DA65B12BB04260.36 BB04
2824xuj_J_DA65_DT66BBwBB17230.43 BB17
2834xuj_J_DT66_DA67miBBB13860.24 BB13
2844xuj_J_DA67_DT68BBwBB16580.52 BB16
2854xuj_J_DT68_DT69BBBBB01740.21 BB01
2864xuj_J_DT69_DG70BBBBB00720.26 BB00
2874xuj_J_DG70_DA71B12BB04350.25 BB04
2884xuj_J_DA71_DT72BBBBB01920.23 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).

Browse conformers

Return up to random steps in PDB structures ( include large structures )

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