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Conformers: ABBIImiBZICOPNSYNN
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X-ray structure of NCP145 with chlorido(eta-6-p-cymene)(N-fluorophenyl-2-pyridinecarbothioamide)osmium(II)

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
0014j8w_I_DA-72_DT-71BBwBB17510.33 BB17
0024j8w_I_DT-71_DC-70miBBB14790.25 BB14
0034j8w_I_DC-70_DA-69miBBB10920.25 BB10
0044j8w_I_DA-69_DA-68B12BB04830.21 BB04
0054j8w_I_DA-68_DT-67BBBBB00350.28 BB00
0064j8w_I_DT-67_DA-66BB2BB07820.28 BB07
0074j8w_I_DA-66_DT-65BBBBB00830.22 BB00
0084j8w_I_DT-65_DC-64BBBBB00530.20 BB00
0094j8w_I_DC-64_DC-63NANNANT00.41 BB05
0104j8w_I_DC-63_DA-62miBBB10440.33 BB10
0114j8w_I_DA-62_DC-61B-ABA05620.37 BA05
0124j8w_I_DC-61_DC-60BBwBB17860.13 BB17
0134j8w_I_DC-60_DT-59B12BB04350.29 BB04
0144j8w_I_DT-59_DG-58BBBBB00530.27 BB00
0154j8w_I_DG-58_DC-57BBBBB00710.21 BB00
0164j8w_I_DC-57_DA-56BB2BB07330.40 BB07
0174j8w_I_DA-56_DG-55B-ABA08420.52 BA08
0184j8w_I_DG-55_DA-54BBBBB00130.42 BB00
0194j8w_I_DA-54_DT-53NANNANT00.34 BB10
0204j8w_I_DT-53_DA-52BBBBB0190.32 BB01
0214j8w_I_DA-52_DC-51BBwBB02320.37 BB02
0224j8w_I_DC-51_DT-50NANNANT00.37 BB14
0234j8w_I_DT-50_DA-49BBBBB00410.22 BB00
0244j8w_I_DA-49_DC-48BBBBB00190.34 BB00
0254j8w_I_DC-48_DC-47miBBB10570.24 BB10
0264j8w_I_DC-47_DA-46BB2BB07330.39 BB07
0274j8w_I_DA-46_DA-45B12BB04280.39 BB04
0284j8w_I_DA-45_DA-44B12BB05590.27 BB05
0294j8w_I_DA-44_DA-43BBwBB16120.35 BB16
0304j8w_I_DA-43_DG-42B-ABA05630.46 BA05
0314j8w_I_DG-42_DT-41BBBBB01430.19 BB01
0324j8w_I_DT-41_DG-40BBBBB01570.27 BB01
0334j8w_I_DG-40_DT-39BBBBB00600.26 BB00
0344j8w_I_DT-39_DA-38BBBBB00340.36 BB00
0354j8w_I_DA-38_DT-37BBBBB00310.39 BB00
0364j8w_I_DT-37_DT-36BBBBB00450.32 BB00
0374j8w_I_DT-36_DT-35BBBBB00540.22 BB00
0384j8w_I_DT-35_DG-34BB2BB07200.34 BB07
0394j8w_I_DG-34_DG-33BBBBB00720.25 BB00
0404j8w_I_DG-33_DA-32B-ABA17660.33 BA17
0414j8w_I_DA-32_DA-31miBBB14610.30 BB14
0424j8w_I_DA-31_DA-30miBBB10470.26 BB10
0434j8w_I_DA-30_DC-29BBBBB00830.24 BB00
0444j8w_I_DC-29_DT-28BBwBB17740.22 BB17
0454j8w_I_DT-28_DG-27NANNANT00.22 BB07
0464j8w_I_DG-27_DC-26BBBBB00480.25 BB00
0474j8w_I_DC-26_DT-25NANNANT00.50 BB08
0484j8w_I_DT-25_DC-24BBBBB00500.63 BB00
0494j8w_I_DC-24_DC-23BB2BB07460.21 BB07
0504j8w_I_DC-23_DA-22BBBBB00500.44 BB00
0514j8w_I_DA-22_DT-21BBBBB01690.24 BB01
0524j8w_I_DT-21_DC-20BBBBB00280.22 BB00
0534j8w_I_DC-20_DA-19miBBB10220.52 BB10
0544j8w_I_DA-19_DA-18BBBBB00400.32 BB00
0554j8w_I_DA-18_DA-17B-ABA08640.36 BA08
0564j8w_I_DA-17_DA-16BBBBB01400.22 BB01
0574j8w_I_DA-16_DG-15NANNANT00.31 BB10
0584j8w_I_DG-15_DG-14BB2BB07500.42 BB07
0594j8w_I_DG-14_DC-13BBBBB00470.28 BB00
0604j8w_I_DC-13_DA-12BB2BB07330.33 BB07
0614j8w_I_DA-12_DT-11B-ABA05490.25 BA05
0624j8w_I_DT-11_DG-10NANNANT00.59 AB03
0634j8w_I_DG-10_DT-9BBBBB00300.40 BB00
0644j8w_I_DT-9_DT-8BBBBB01830.16 BB01
0654j8w_I_DT-8_DC-7BBBBB00490.30 BB00
0664j8w_I_DC-7_DA-6BB2BB07610.35 BB07
0674j8w_I_DA-6_DG-5BBBBB00720.24 BB00
0684j8w_I_DG-5_DC-4BB2BB07350.25 BB07
0694j8w_I_DC-4_DT-3BBBBB00480.28 BB00
0704j8w_I_DT-3_DG-2BBBBB00680.27 BB00
0714j8w_I_DG-2_DA-1B12BB04490.13 BB04
0724j8w_I_DA-1_DA0BBBBB00710.17 BB00
0734j8w_I_DA0_DT1BBBBB00790.16 BB00
0744j8w_I_DT1_DC2BBBBB00830.18 BB00
0754j8w_I_DC2_DA3B12BB04560.33 BB04
0764j8w_I_DA3_DG4BBBBB00890.17 BB00
0774j8w_I_DG4_DC5B12BB04600.35 BB04
0784j8w_I_DC5_DT6BB2BB07180.24 BB07
0794j8w_I_DT6_DG7BB2BB07200.49 BB07
0804j8w_I_DG7_DA8B12BB04680.26 BB04
0814j8w_I_DA8_DA9BBBBB01830.22 BB01
0824j8w_I_DA9_DC10BBBBB00600.22 BB00
0834j8w_I_DC10_DA11miBBB10580.40 BB10
0844j8w_I_DA11_DT12BBBBB00860.16 BB00
0854j8w_I_DT12_DG13miBBB10420.31 BB10
0864j8w_I_DG13_DC14BBBBB00340.20 BB00
0874j8w_I_DC14_DC15BB2BB07230.52 BB07
0884j8w_I_DC15_DT16BBBBB00400.19 BB00
0894j8w_I_DT16_DT17BBBBB00310.37 BB00
0904j8w_I_DT17_DT18BBBBB00660.15 BB00
0914j8w_I_DT18_DT19BBBBB00830.19 BB00
0924j8w_I_DT19_DG20BBBBB00650.39 BB00
0934j8w_I_DG20_DA21miBBB10550.41 BB10
0944j8w_I_DA21_DT22BBBBB00470.38 BB00
0954j8w_I_DT22_DG23BBwBB11520.35 BB11
0964j8w_I_DG23_DG24BBwBB17390.39 BB17
0974j8w_I_DG24_DA25BB2BB07400.42 BB07
0984j8w_I_DA25_DG26BBBBB00820.23 BB00
0994j8w_I_DG26_DC27B-ABA17690.23 BA17
1004j8w_I_DC27_DA28BBBBB01440.37 BB01
1014j8w_I_DA28_DG29B12BB04800.20 BB04
1024j8w_I_DG29_DT30B-ABA05520.24 BA05
1034j8w_I_DT30_DT31BBBBB00330.26 BB00
1044j8w_I_DT31_DT32miBBB10460.38 BB10
1054j8w_I_DT32_DC33NANNANT00.50 AB04
1064j8w_I_DC33_DC34BB2BB07300.34 BB07
1074j8w_I_DC34_DA35BB2BB07420.25 BB07
1084j8w_I_DA35_DA36BBBBB00710.19 BB00
1094j8w_I_DA36_DA37B12BB04120.21 BB04
1104j8w_I_DA37_DT38BBBBB00630.31 BB00
1114j8w_I_DT38_DA39BBBBB00810.28 BB00
1124j8w_I_DA39_DC40B-ABA09340.42 BA09
1134j8w_I_DC40_DA41A-BAB05360.40 AB05
1144j8w_I_DA41_DC42miBBB10580.18 BB10
1154j8w_I_DC42_DT43miBBB14590.27 BB14
1164j8w_I_DT43_DT44BBBBB01320.36 BB01
1174j8w_I_DT44_DT45B-ABA01590.20 BA01
1184j8w_I_DT45_DT46NANNANT00.33 AB02
1194j8w_I_DT46_DG47BBBBB00340.47 BB00
1204j8w_I_DG47_DG48BBBBB00340.34 BB00
1214j8w_I_DG48_DT49BBBBB01540.20 BB01
1224j8w_I_DT49_DA50miBBB10430.25 BB10
1234j8w_I_DA50_DG51B-ABA08570.25 BA08
1244j8w_I_DG51_DT52B-ABA05630.15 BA05
1254j8w_I_DT52_DA53BBBBB01120.38 BB01
1264j8w_I_DA53_DT54NANNANT00.39 BB17
1274j8w_I_DT54_DC55BBBBB01660.32 BB01
1284j8w_I_DC55_DT56BBBBB00600.33 BB00
1294j8w_I_DT56_DG57BB2BB07660.28 BB07
1304j8w_I_DG57_DC58BBBBB00700.25 BB00
1314j8w_I_DC58_DA59BB2BB07820.27 BB07
1324j8w_I_DA59_DG60NANNANT00.41 BB11
1334j8w_I_DG60_DG61BBBBB01210.34 BB01
1344j8w_I_DG61_DT62BBBBB01690.20 BB01
1354j8w_I_DT62_DG63BBwBB17670.23 BB17
1364j8w_I_DG63_DG64miBBB14470.28 BB14
1374j8w_I_DG64_DA65BBBBB00490.46 BB00
1384j8w_I_DA65_DT66BBwBB17620.27 BB17
1394j8w_I_DT66_DA67miBBB10380.49 BB10
1404j8w_I_DA67_DT68BBBBB01940.12 BB01
1414j8w_I_DT68_DT69BBBBB01820.17 BB01
1424j8w_I_DT69_DG70BBBBB00800.21 BB00
1434j8w_I_DG70_DA71BBBBB00250.39 BB00
1444j8w_I_DA71_DT72BBBBB01440.29 BB01
1454j8w_J_DA-72_DT-71NANNANT00.47 AB04
1464j8w_J_DT-71_DC-70NANNANT00.49 AB02
1474j8w_J_DC-70_DA-69BB2BB07490.26 BB07
1484j8w_J_DA-69_DA-68NANNANT00.29 BA17
1494j8w_J_DA-68_DT-67BBBBB00160.29 BB00
1504j8w_J_DT-67_DA-66BB2BB07520.29 BB07
1514j8w_J_DA-66_DT-65BBBBB00780.16 BB00
1524j8w_J_DT-65_DC-64BBBBB00180.26 BB00
1534j8w_J_DC-64_DC-63BBBBB00410.24 BB00
1544j8w_J_DC-63_DA-62B12BB04180.30 BB04
1554j8w_J_DA-62_DC-61BBBBB00690.17 BB00
1564j8w_J_DC-61_DC-60BBBBB00790.24 BB00
1574j8w_J_DC-60_DT-59BBBBB00940.19 BB00
1584j8w_J_DT-59_DG-58BB2BB07270.37 BB07
1594j8w_J_DG-58_DC-57miBBB14740.30 BB14
1604j8w_J_DC-57_DA-56BB2BB07380.35 BB07
1614j8w_J_DA-56_DG-55BBBBB00550.30 BB00
1624j8w_J_DG-55_DA-54B-ABA08690.33 BA08
1634j8w_J_DA-54_DT-53A-BAB03600.41 AB03
1644j8w_J_DT-53_DA-52B12BB0490.33 BB04
1654j8w_J_DA-52_DC-51BBwBB17780.19 BB17
1664j8w_J_DC-51_DT-50NANNANT00.35 BB10
1674j8w_J_DT-50_DA-49NANNANT00.40 BB17
1684j8w_J_DA-49_DC-48NANNANT00.37 BB00
1694j8w_J_DC-48_DC-47B12BB04110.45 BB04
1704j8w_J_DC-47_DA-46BB2BB0780.26 BB07
1714j8w_J_DA-46_DA-45miBBB10540.35 BB10
1724j8w_J_DA-45_DA-44NANNANT00.46 BB08
1734j8w_J_DA-44_DA-43BBwBB17430.56 BB17
1744j8w_J_DA-43_DG-42B12BB04290.27 BB04
1754j8w_J_DG-42_DT-41B12BB04270.34 BB04
1764j8w_J_DT-41_DG-40NANNANT00.44 BB17
1774j8w_J_DG-40_DT-39BBwBB17130.36 BB17
1784j8w_J_DT-39_DA-38miBBB14590.19 BB14
1794j8w_J_DA-38_DT-37BBBBB00790.28 BB00
1804j8w_J_DT-37_DT-36BBBBB00110.36 BB00
1814j8w_J_DT-36_DT-35BBBBB00350.23 BB00
1824j8w_J_DT-35_DG-34NANNANT00.38 BB07
1834j8w_J_DG-34_DG-33BBBBB00630.28 BB00
1844j8w_J_DG-33_DA-32BB2BB07470.36 BB07
1854j8w_J_DA-32_DA-31NANNANT00.36 BB14
1864j8w_J_DA-31_DA-30NANNANT00.32 AB02
1874j8w_J_DA-30_DC-29BBBBB01550.29 BB01
1884j8w_J_DC-29_DT-28BBBBB00500.26 BB00
1894j8w_J_DT-28_DG-27BB2BB07300.40 BB07
1904j8w_J_DG-27_DC-26BBBBB00760.38 BB00
1914j8w_J_DC-26_DT-25BB2BB07690.36 BB07
1924j8w_J_DT-25_DC-24NANNANT00.47 BB15
1934j8w_J_DC-24_DC-23BB2BB07570.22 BB07
1944j8w_J_DC-23_DA-22BBBBB00710.34 BB00
1954j8w_J_DA-22_DT-21BBBBB00490.24 BB00
1964j8w_J_DT-21_DC-20B-ABA0180.29 BA01
1974j8w_J_DC-20_DA-19NANNANT00.55 BB17
1984j8w_J_DA-19_DA-18NANNANT00.35 BB00
1994j8w_J_DA-18_DA-17miBBB10730.34 BB10
2004j8w_J_DA-17_DA-16B12BB04600.33 BB04
2014j8w_J_DA-16_DG-15B12BB04560.29 BB04
2024j8w_J_DG-15_DG-14BB2BB07470.43 BB07
2034j8w_J_DG-14_DC-13BBBBB00620.24 BB00
2044j8w_J_DC-13_DA-12BBBBB00780.20 BB00
2054j8w_J_DA-12_DT-11BBBBB00430.22 BB00
2064j8w_J_DT-11_DG-10BBBBB00600.30 BB00
2074j8w_J_DG-10_DT-9BBBBB00560.24 BB00
2084j8w_J_DT-9_DT-8B-ABA05720.21 BA05
2094j8w_J_DT-8_DC-7BBBBB00190.34 BB00
2104j8w_J_DC-7_DA-6BB2BB07780.29 BB07
2114j8w_J_DA-6_DG-5BBBBB00630.30 BB00
2124j8w_J_DG-5_DC-4BB2BB07340.22 BB07
2134j8w_J_DC-4_DT-3BBBBB00620.21 BB00
2144j8w_J_DT-3_DG-2BBBBB00860.19 BB00
2154j8w_J_DG-2_DA-1BBBBB00650.35 BB00
2164j8w_J_DA-1_DT0BBBBB00520.24 BB00
2174j8w_J_DT0_DT1BBBBB00640.23 BB00
2184j8w_J_DT1_DC2BBBBB00600.24 BB00
2194j8w_J_DC2_DA3miBBB10620.45 BB10
2204j8w_J_DA3_DG4B12BB04210.37 BB04
2214j8w_J_DG4_DC5B-ABA17840.19 BA17
2224j8w_J_DC5_DT6A-BAB02700.34 AB02
2234j8w_J_DT6_DG7NANNANT00.61 BB08
2244j8w_J_DG7_DA8B12BB04560.35 BB04
2254j8w_J_DA8_DA9BBBBB01730.25 BB01
2264j8w_J_DA9_DC10B-ABA05430.23 BA05
2274j8w_J_DC10_DA11NANNANT00.65 BB17
2284j8w_J_DA11_DT12BBBBB00610.33 BB00
2294j8w_J_DT12_DG13BB2BB07510.37 BB07
2304j8w_J_DG13_DC14B12BB04540.27 BB04
2314j8w_J_DC14_DC15NANNANT00.57 BB04
2324j8w_J_DC15_DT16B12BB04360.31 BB04
2334j8w_J_DT16_DT17BBBBB00380.26 BB00
2344j8w_J_DT17_DT18BBBBB01710.14 BB01
2354j8w_J_DT18_DT19BBBBB00930.11 BB00
2364j8w_J_DT19_DG20BBBBB00140.42 BB00
2374j8w_J_DG20_DA21miBBB10650.36 BB10
2384j8w_J_DA21_DT22BBBBB00780.29 BB00
2394j8w_J_DT22_DG23BBwBB11450.40 BB11
2404j8w_J_DG23_DG24NANNANT00.46 BB17
2414j8w_J_DG24_DA25BB2BB07620.26 BB07
2424j8w_J_DA25_DG26BBBBB00390.31 BB00
2434j8w_J_DG26_DC27BB2BB07460.17 BB07
2444j8w_J_DC27_DA28BBBBB00800.24 BB00
2454j8w_J_DA28_DG29B12BB04680.18 BB04
2464j8w_J_DG29_DT30BBBBB00910.17 BB00
2474j8w_J_DT30_DT31BBBBB00660.27 BB00
2484j8w_J_DT31_DT32miBBB10730.25 BB10
2494j8w_J_DT32_DC33B12BB04340.49 BB04
2504j8w_J_DC33_DC34BB2BB07640.25 BB07
2514j8w_J_DC34_DA35BB2BB07690.30 BB07
2524j8w_J_DA35_DA36BBBBB00640.29 BB00
2534j8w_J_DA36_DA37B-ABA08860.20 BA08
2544j8w_J_DA37_DT38A-BAB01540.25 AB01
2554j8w_J_DT38_DA39BBBBB01690.22 BB01
2564j8w_J_DA39_DC40miBBB10410.27 BB10
2574j8w_J_DC40_DA41A-BAB03430.32 AB03
2584j8w_J_DA41_DC42BBwBB11480.33 BB11
2594j8w_J_DC42_DT43BBwBB17690.24 BB17
2604j8w_J_DT43_DT44B-ABA08570.47 BA08
2614j8w_J_DT44_DT45BBBBB01510.21 BB01
2624j8w_J_DT45_DT46NANNANT00.38 BB10
2634j8w_J_DT46_DG47BB2BB07290.21 BB07
2644j8w_J_DG47_DG48NANNANT00.54 BB17
2654j8w_J_DG48_DT49BBBBB00550.35 BB00
2664j8w_J_DT49_DA50NANNANT00.67 BB07
2674j8w_J_DA50_DG51miBBB10840.37 BB10
2684j8w_J_DG51_DT52BBBBB01600.24 BB01
2694j8w_J_DT52_DA53BBBBB01260.24 BB01
2704j8w_J_DA53_DT54BBBBB01330.34 BB01
2714j8w_J_DT54_DC55BBBBB00560.35 BB00
2724j8w_J_DC55_DT56BBBBB00200.29 BB00
2734j8w_J_DT56_DG57BB2BB07790.23 BB07
2744j8w_J_DG57_DC58BBBBB00640.24 BB00
2754j8w_J_DC58_DA59BB2BB07910.20 BB07
2764j8w_J_DA59_DG60BBBBB00630.23 BB00
2774j8w_J_DG60_DG61NANNANT00.41 BB00
2784j8w_J_DG61_DT62B-ABA05240.23 BA05
2794j8w_J_DT62_DG63A-BAB03540.25 AB03
2804j8w_J_DG63_DG64miBBB10870.19 BB10
2814j8w_J_DG64_DA65B12BB04390.37 BB04
2824j8w_J_DA65_DT66BBBBB00160.38 BB00
2834j8w_J_DT66_DA67miBBB13780.25 BB13
2844j8w_J_DA67_DT68BBBBB00220.42 BB00
2854j8w_J_DT68_DT69BBBBB00700.19 BB00
2864j8w_J_DT69_DG70BBBBB00790.24 BB00
2874j8w_J_DG70_DA71B12BB04890.19 BB04
2884j8w_J_DA71_DT72BBBBB01860.23 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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