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Conformers: ABBIImiBZICOPNSYNN
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X-ray structure of NCP145 with chlorido(eta-6-p-cymene)(N-phenyl-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
0014j8u_I_DA-72_DT-71BBwBB17470.35 BB17
0024j8u_I_DT-71_DC-70miBBB14740.23 BB14
0034j8u_I_DC-70_DA-69miBBB10860.27 BB10
0044j8u_I_DA-69_DA-68B12BB04790.21 BB04
0054j8u_I_DA-68_DT-67BBBBB00120.29 BB00
0064j8u_I_DT-67_DA-66BB2BB07770.30 BB07
0074j8u_I_DA-66_DT-65BBBBB00880.18 BB00
0084j8u_I_DT-65_DC-64BBBBB00310.21 BB00
0094j8u_I_DC-64_DC-63NANNANT00.57 BB02
0104j8u_I_DC-63_DA-62miBBB10420.33 BB10
0114j8u_I_DA-62_DC-61B-ABA05690.30 BA05
0124j8u_I_DC-61_DC-60BBwBB17890.09 BB17
0134j8u_I_DC-60_DT-59B12BB04330.27 BB04
0144j8u_I_DT-59_DG-58BBBBB00540.30 BB00
0154j8u_I_DG-58_DC-57BBBBB00790.20 BB00
0164j8u_I_DC-57_DA-56BB2BB07540.39 BB07
0174j8u_I_DA-56_DG-55miBBB10370.40 BB10
0184j8u_I_DG-55_DA-54BBBBB0090.42 BB00
0194j8u_I_DA-54_DT-53NANNANT00.42 BA08
0204j8u_I_DT-53_DA-52BBBBB00200.41 BB00
0214j8u_I_DA-52_DC-51BBwBB02250.38 BB02
0224j8u_I_DC-51_DT-50NANNANT00.35 BB14
0234j8u_I_DT-50_DA-49BBBBB00480.19 BB00
0244j8u_I_DA-49_DC-48BBBBB01320.30 BB01
0254j8u_I_DC-48_DC-47miBBB10540.24 BB10
0264j8u_I_DC-47_DA-46BB2BB07340.34 BB07
0274j8u_I_DA-46_DA-45B12BB04300.40 BB04
0284j8u_I_DA-45_DA-44B12BB05550.31 BB05
0294j8u_I_DA-44_DA-43BBwBB16240.36 BB16
0304j8u_I_DA-43_DG-42BBBBB01530.35 BB01
0314j8u_I_DG-42_DT-41BBBBB01780.14 BB01
0324j8u_I_DT-41_DG-40BBBBB01590.24 BB01
0334j8u_I_DG-40_DT-39BBBBB00780.24 BB00
0344j8u_I_DT-39_DA-38B12BB04520.23 BB04
0354j8u_I_DA-38_DT-37BBBBB00160.40 BB00
0364j8u_I_DT-37_DT-36BBBBB00340.33 BB00
0374j8u_I_DT-36_DT-35BBBBB00520.23 BB00
0384j8u_I_DT-35_DG-34BB2BB07190.32 BB07
0394j8u_I_DG-34_DG-33BBBBB00730.23 BB00
0404j8u_I_DG-33_DA-32BB2BB07160.23 BB07
0414j8u_I_DA-32_DA-31miBBB14710.30 BB14
0424j8u_I_DA-31_DA-30miBBB10420.28 BB10
0434j8u_I_DA-30_DC-29BBBBB00860.22 BB00
0444j8u_I_DC-29_DT-28BBwBB17770.20 BB17
0454j8u_I_DT-28_DG-27NANNANT00.24 BB07
0464j8u_I_DG-27_DC-26B12BB04520.33 BB04
0474j8u_I_DC-26_DT-25NANNANT00.48 BB08
0484j8u_I_DT-25_DC-24BBBBB00490.65 BB00
0494j8u_I_DC-24_DC-23BB2BB07440.21 BB07
0504j8u_I_DC-23_DA-22BBBBB00490.44 BB00
0514j8u_I_DA-22_DT-21BBBBB01730.23 BB01
0524j8u_I_DT-21_DC-20BBBBB00430.21 BB00
0534j8u_I_DC-20_DA-19miBBB10290.49 BB10
0544j8u_I_DA-19_DA-18BBBBB00300.30 BB00
0554j8u_I_DA-18_DA-17B-ABA08690.33 BA08
0564j8u_I_DA-17_DA-16BBBBB01510.24 BB01
0574j8u_I_DA-16_DG-15NANNANT00.29 BB10
0584j8u_I_DG-15_DG-14BB2BB07530.40 BB07
0594j8u_I_DG-14_DC-13BBBBB00470.28 BB00
0604j8u_I_DC-13_DA-12BB2BB07270.36 BB07
0614j8u_I_DA-12_DT-11B-ABA05430.25 BA05
0624j8u_I_DT-11_DG-10NANNANT00.56 AB03
0634j8u_I_DG-10_DT-9BBBBB00160.41 BB00
0644j8u_I_DT-9_DT-8BBBBB00730.14 BB00
0654j8u_I_DT-8_DC-7BBBBB00630.28 BB00
0664j8u_I_DC-7_DA-6BB2BB07700.33 BB07
0674j8u_I_DA-6_DG-5BBBBB00670.23 BB00
0684j8u_I_DG-5_DC-4BB2BB07510.24 BB07
0694j8u_I_DC-4_DT-3BBBBB00720.26 BB00
0704j8u_I_DT-3_DG-2BBBBB00720.26 BB00
0714j8u_I_DG-2_DA-1B12BB04700.12 BB04
0724j8u_I_DA-1_DA0BBBBB00680.19 BB00
0734j8u_I_DA0_DT1BBBBB00700.18 BB00
0744j8u_I_DT1_DC2BBBBB00810.20 BB00
0754j8u_I_DC2_DA3B12BB04660.31 BB04
0764j8u_I_DA3_DG4BBBBB00890.16 BB00
0774j8u_I_DG4_DC5B12BB04580.37 BB04
0784j8u_I_DC5_DT6BB2BB07140.24 BB07
0794j8u_I_DT6_DG7BB2BB07180.50 BB07
0804j8u_I_DG7_DA8B12BB04710.24 BB04
0814j8u_I_DA8_DA9BBBBB01670.24 BB01
0824j8u_I_DA9_DC10BBBBB00410.24 BB00
0834j8u_I_DC10_DA11miBBB10510.40 BB10
0844j8u_I_DA11_DT12BBBBB00830.17 BB00
0854j8u_I_DT12_DG13miBBB10540.29 BB10
0864j8u_I_DG13_DC14NANNANT00.26 BB00
0874j8u_I_DC14_DC15BB2BB07240.51 BB07
0884j8u_I_DC15_DT16BBBBB00610.17 BB00
0894j8u_I_DT16_DT17BBBBB00380.36 BB00
0904j8u_I_DT17_DT18BBBBB00680.14 BB00
0914j8u_I_DT18_DT19BBBBB00800.19 BB00
0924j8u_I_DT19_DG20BBBBB00650.36 BB00
0934j8u_I_DG20_DA21miBBB10520.39 BB10
0944j8u_I_DA21_DT22BBBBB00500.37 BB00
0954j8u_I_DT22_DG23BBwBB11600.33 BB11
0964j8u_I_DG23_DG24BBwBB17530.37 BB17
0974j8u_I_DG24_DA25BB2BB07450.41 BB07
0984j8u_I_DA25_DG26BBBBB00840.21 BB00
0994j8u_I_DG26_DC27BB2BB07270.23 BB07
1004j8u_I_DC27_DA28BBBBB00510.30 BB00
1014j8u_I_DA28_DG29B12BB04790.14 BB04
1024j8u_I_DG29_DT30B-ABA05240.27 BA05
1034j8u_I_DT30_DT31BBBBB00110.28 BB00
1044j8u_I_DT31_DT32miBBB10480.45 BB10
1054j8u_I_DT32_DC33BBwBB17370.29 BB17
1064j8u_I_DC33_DC34B12BB04450.32 BB04
1074j8u_I_DC34_DA35BB2BB07430.24 BB07
1084j8u_I_DA35_DA36BBBBB00700.19 BB00
1094j8u_I_DA36_DA37B12BB04310.18 BB04
1104j8u_I_DA37_DT38BBBBB00560.34 BB00
1114j8u_I_DT38_DA39BBBBB00830.27 BB00
1124j8u_I_DA39_DC40B-ABA09400.44 BA09
1134j8u_I_DC40_DA41A-BAB05370.39 AB05
1144j8u_I_DA41_DC42miBBB10740.15 BB10
1154j8u_I_DC42_DT43miBBB14620.27 BB14
1164j8u_I_DT43_DT44BBBBB00190.40 BB00
1174j8u_I_DT44_DT45B-ABA01520.21 BA01
1184j8u_I_DT45_DT46NANNANT00.31 AB02
1194j8u_I_DT46_DG47B12BB04600.30 BB04
1204j8u_I_DG47_DG48BBBBB00530.34 BB00
1214j8u_I_DG48_DT49BBBBB00560.24 BB00
1224j8u_I_DT49_DA50miBBB10430.28 BB10
1234j8u_I_DA50_DG51B-ABA08370.28 BA08
1244j8u_I_DG51_DT52B-ABA05640.18 BA05
1254j8u_I_DT52_DA53BBBBB01160.39 BB01
1264j8u_I_DA53_DT54NANNANT00.38 BB17
1274j8u_I_DT54_DC55BBBBB00780.27 BB00
1284j8u_I_DC55_DT56BBBBB00730.27 BB00
1294j8u_I_DT56_DG57BB2BB07470.29 BB07
1304j8u_I_DG57_DC58BBBBB00590.26 BB00
1314j8u_I_DC58_DA59BB2BB07850.26 BB07
1324j8u_I_DA59_DG60BBwBB11480.40 BB11
1334j8u_I_DG60_DG61B-ABA08370.44 BA08
1344j8u_I_DG61_DT62BBBBB01470.25 BB01
1354j8u_I_DT62_DG63BBwBB17660.25 BB17
1364j8u_I_DG63_DG64miBBB14680.27 BB14
1374j8u_I_DG64_DA65BBBBB00520.43 BB00
1384j8u_I_DA65_DT66BBwBB17550.30 BB17
1394j8u_I_DT66_DA67miBBB10360.47 BB10
1404j8u_I_DA67_DT68BBBBB00800.16 BB00
1414j8u_I_DT68_DT69BBBBB00750.16 BB00
1424j8u_I_DT69_DG70BBBBB00830.20 BB00
1434j8u_I_DG70_DA71B12BB04220.14 BB04
1444j8u_I_DA71_DT72A-BAB03680.30 AB03
1454j8u_J_DA-72_DT-71NANNANT00.44 AB04
1464j8u_J_DT-71_DC-70A-BAB02440.46 AB02
1474j8u_J_DC-70_DA-69BB2BB07420.26 BB07
1484j8u_J_DA-69_DA-68B-ABA17660.28 BA17
1494j8u_J_DA-68_DT-67BBBBB00250.30 BB00
1504j8u_J_DT-67_DA-66BB2BB07510.29 BB07
1514j8u_J_DA-66_DT-65BBBBB00790.15 BB00
1524j8u_J_DT-65_DC-64B-ABA08610.32 BA08
1534j8u_J_DC-64_DC-63BBBBB00210.27 BB00
1544j8u_J_DC-63_DA-62B12BB04160.27 BB04
1554j8u_J_DA-62_DC-61BBBBB00630.16 BB00
1564j8u_J_DC-61_DC-60BBBBB00800.27 BB00
1574j8u_J_DC-60_DT-59BBBBB00980.17 BB00
1584j8u_J_DT-59_DG-58BB2BB07210.37 BB07
1594j8u_J_DG-58_DC-57miBBB14700.30 BB14
1604j8u_J_DC-57_DA-56BB2BB07290.36 BB07
1614j8u_J_DA-56_DG-55BBBBB00590.29 BB00
1624j8u_J_DG-55_DA-54B-ABA08730.31 BA08
1634j8u_J_DA-54_DT-53A-BAB03620.35 AB03
1644j8u_J_DT-53_DA-52B-ABA17250.40 BA17
1654j8u_J_DA-52_DC-51BBwBB17520.26 BB17
1664j8u_J_DC-51_DT-50NANNANT00.29 BB10
1674j8u_J_DT-50_DA-49miBBB14500.24 BB14
1684j8u_J_DA-49_DC-48NANNANT00.46 BB17
1694j8u_J_DC-48_DC-47B-ABA17210.44 BA17
1704j8u_J_DC-47_DA-46NANNANT00.52 BA17
1714j8u_J_DA-46_DA-45miBBB10490.40 BB10
1724j8u_J_DA-45_DA-44NANNANT00.50 BB08
1734j8u_J_DA-44_DA-43BBwBB17450.58 BB17
1744j8u_J_DA-43_DG-42B12BB04380.21 BB04
1754j8u_J_DG-42_DT-41BBBBB00510.28 BB00
1764j8u_J_DT-41_DG-40NANNANT00.57 BB11
1774j8u_J_DG-40_DT-39BBwBB17280.33 BB17
1784j8u_J_DT-39_DA-38miBBB14660.19 BB14
1794j8u_J_DA-38_DT-37BBBBB00730.33 BB00
1804j8u_J_DT-37_DT-36B12BB04110.21 BB04
1814j8u_J_DT-36_DT-35BBBBB00460.20 BB00
1824j8u_J_DT-35_DG-34NANNANT00.39 BB07
1834j8u_J_DG-34_DG-33BBBBB00630.26 BB00
1844j8u_J_DG-33_DA-32BB2BB07480.39 BB07
1854j8u_J_DA-32_DA-31miBBB14390.34 BB14
1864j8u_J_DA-31_DA-30NANNANT00.30 AB02
1874j8u_J_DA-30_DC-29BBBBB01570.29 BB01
1884j8u_J_DC-29_DT-28BBBBB00530.26 BB00
1894j8u_J_DT-28_DG-27B12BB04290.43 BB04
1904j8u_J_DG-27_DC-26BBBBB00710.33 BB00
1914j8u_J_DC-26_DT-25BB2BB07680.38 BB07
1924j8u_J_DT-25_DC-24NANNANT00.47 BB15
1934j8u_J_DC-24_DC-23BB2BB07510.25 BB07
1944j8u_J_DC-23_DA-22BBBBB00690.32 BB00
1954j8u_J_DA-22_DT-21BBBBB00500.24 BB00
1964j8u_J_DT-21_DC-20B-ABA08670.29 BA08
1974j8u_J_DC-20_DA-19NANNANT00.57 BB17
1984j8u_J_DA-19_DA-18NANNANT00.39 BB00
1994j8u_J_DA-18_DA-17miBBB10800.31 BB10
2004j8u_J_DA-17_DA-16B12BB04710.27 BB04
2014j8u_J_DA-16_DG-15B12BB04670.30 BB04
2024j8u_J_DG-15_DG-14BB2BB07560.40 BB07
2034j8u_J_DG-14_DC-13BBBBB00770.22 BB00
2044j8u_J_DC-13_DA-12BBBBB00880.20 BB00
2054j8u_J_DA-12_DT-11BBBBB00500.21 BB00
2064j8u_J_DT-11_DG-10BBBBB00570.30 BB00
2074j8u_J_DG-10_DT-9BBBBB00440.26 BB00
2084j8u_J_DT-9_DT-8B-ABA05650.21 BA05
2094j8u_J_DT-8_DC-7BBBBB00160.34 BB00
2104j8u_J_DC-7_DA-6BB2BB07780.29 BB07
2114j8u_J_DA-6_DG-5BBBBB00680.28 BB00
2124j8u_J_DG-5_DC-4BB2BB07450.20 BB07
2134j8u_J_DC-4_DT-3BBBBB00690.22 BB00
2144j8u_J_DT-3_DG-2BBBBB00900.18 BB00
2154j8u_J_DG-2_DA-1B12BB04810.13 BB04
2164j8u_J_DA-1_DT0BBBBB00620.24 BB00
2174j8u_J_DT0_DT1BBBBB00710.24 BB00
2184j8u_J_DT1_DC2BBBBB00600.24 BB00
2194j8u_J_DC2_DA3miBBB10650.45 BB10
2204j8u_J_DA3_DG4B12BB04200.36 BB04
2214j8u_J_DG4_DC5B-ABA17670.22 BA17
2224j8u_J_DC5_DT6A-BAB02530.33 AB02
2234j8u_J_DT6_DG7NANNANT00.61 BB08
2244j8u_J_DG7_DA8B12BB04590.33 BB04
2254j8u_J_DA8_DA9BBBBB01750.23 BB01
2264j8u_J_DA9_DC10B-ABA0180.29 BA01
2274j8u_J_DC10_DA11NANNANT00.62 BB17
2284j8u_J_DA11_DT12BBBBB00530.33 BB00
2294j8u_J_DT12_DG13BB2BB07630.33 BB07
2304j8u_J_DG13_DC14B12BB04520.25 BB04
2314j8u_J_DC14_DC15NANNANT00.41 BB10
2324j8u_J_DC15_DT16B12BB04270.28 BB04
2334j8u_J_DT16_DT17BBBBB00770.20 BB00
2344j8u_J_DT17_DT18BBBBB00770.15 BB00
2354j8u_J_DT18_DT19BBBBB00900.12 BB00
2364j8u_J_DT19_DG20BBBBB00120.41 BB00
2374j8u_J_DG20_DA21miBBB10620.34 BB10
2384j8u_J_DA21_DT22BBBBB00800.28 BB00
2394j8u_J_DT22_DG23BBwBB11520.38 BB11
2404j8u_J_DG23_DG24NANNANT00.47 BB17
2414j8u_J_DG24_DA25BB2BB07780.26 BB07
2424j8u_J_DA25_DG26BBBBB00650.31 BB00
2434j8u_J_DG26_DC27BB2BB07350.18 BB07
2444j8u_J_DC27_DA28BBBBB00730.24 BB00
2454j8u_J_DA28_DG29B12BB04790.17 BB04
2464j8u_J_DG29_DT30BBBBB00890.19 BB00
2474j8u_J_DT30_DT31BBBBB00270.34 BB00
2484j8u_J_DT31_DT32miBBB10940.21 BB10
2494j8u_J_DT32_DC33B12BB04250.47 BB04
2504j8u_J_DC33_DC34BB2BB07500.26 BB07
2514j8u_J_DC34_DA35BB2BB07670.31 BB07
2524j8u_J_DA35_DA36BBBBB00650.27 BB00
2534j8u_J_DA36_DA37B-ABA08840.19 BA08
2544j8u_J_DA37_DT38A-BAB01540.24 AB01
2554j8u_J_DT38_DA39BBBBB00800.24 BB00
2564j8u_J_DA39_DC40miBBB10450.27 BB10
2574j8u_J_DC40_DA41BBBBB00390.35 BB00
2584j8u_J_DA41_DC42NANNANT00.36 BB11
2594j8u_J_DC42_DT43BBwBB17810.20 BB17
2604j8u_J_DT43_DT44B-ABA08550.47 BA08
2614j8u_J_DT44_DT45BBBBB01490.21 BB01
2624j8u_J_DT45_DT46A-BAB03110.33 AB03
2634j8u_J_DT46_DG47BB2BB07190.23 BB07
2644j8u_J_DG47_DG48NANNANT00.55 BB17
2654j8u_J_DG48_DT49BBBBB00570.33 BB00
2664j8u_J_DT49_DA50NANNANT00.66 BB07
2674j8u_J_DA50_DG51miBBB10840.34 BB10
2684j8u_J_DG51_DT52BBBBB01700.23 BB01
2694j8u_J_DT52_DA53B-ABA05340.27 BA05
2704j8u_J_DA53_DT54BBBBB01300.28 BB01
2714j8u_J_DT54_DC55BBBBB00510.37 BB00
2724j8u_J_DC55_DT56BBwBB17220.35 BB17
2734j8u_J_DT56_DG57BB2BB07790.22 BB07
2744j8u_J_DG57_DC58BBBBB00580.24 BB00
2754j8u_J_DC58_DA59BB2BB07840.21 BB07
2764j8u_J_DA59_DG60B12BB04240.41 BB04
2774j8u_J_DG60_DG61B-ABA08510.28 BA08
2784j8u_J_DG61_DT62B-ABA05240.25 BA05
2794j8u_J_DT62_DG63A-BAB03410.28 AB03
2804j8u_J_DG63_DG64miBBB10870.16 BB10
2814j8u_J_DG64_DA65B12BB04500.34 BB04
2824j8u_J_DA65_DT66BBBBB00280.35 BB00
2834j8u_J_DT66_DA67miBBB13820.23 BB13
2844j8u_J_DA67_DT68BBBBB00340.42 BB00
2854j8u_J_DT68_DT69BBBBB00730.19 BB00
2864j8u_J_DT69_DG70BBBBB00820.23 BB00
2874j8u_J_DG70_DA71B12BB04920.18 BB04
2884j8u_J_DA71_DT72BBBBB00870.22 BB00

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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