Home or other PDB ID
 
 
 
 
 
 
 
 
 
Selection mode
 
 
 
 
 
 
Conformers: ABBIImiBZICOPNSYNN
Click the Summary/Torsions/Similar/... tabs for more details.
X-ray structure of NCP145 with bound chlorido(eta-6-p-cymene)(N-phenyl-2-pyridinecarbothioamide)ruthenium(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.

Your browser does not support the HTML5 canvas tag.
Your browser does not support the HTML5 canvas tag.
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
0014j8v_I_DA-72_DT-71BBwBB17500.32 BB17
0024j8v_I_DT-71_DC-70miBBB14890.22 BB14
0034j8v_I_DC-70_DA-69miBBB10830.28 BB10
0044j8v_I_DA-69_DA-68B12BB04850.21 BB04
0054j8v_I_DA-68_DT-67BBBBB00380.31 BB00
0064j8v_I_DT-67_DA-66BB2BB07820.26 BB07
0074j8v_I_DA-66_DT-65BBBBB00770.23 BB00
0084j8v_I_DT-65_DC-64BBBBB01690.21 BB01
0094j8v_I_DC-64_DC-63NANNANT00.54 BB02
0104j8v_I_DC-63_DA-62miBBB10450.34 BB10
0114j8v_I_DA-62_DC-61BBBBB01420.29 BB01
0124j8v_I_DC-61_DC-60BBwBB17890.14 BB17
0134j8v_I_DC-60_DT-59B12BB04410.29 BB04
0144j8v_I_DT-59_DG-58BBBBB00570.29 BB00
0154j8v_I_DG-58_DC-57BBBBB00830.16 BB00
0164j8v_I_DC-57_DA-56BB2BB07620.38 BB07
0174j8v_I_DA-56_DG-55B-ABA08360.55 BA08
0184j8v_I_DG-55_DA-54A-BAB03140.26 AB03
0194j8v_I_DA-54_DT-53miBBB10400.32 BB10
0204j8v_I_DT-53_DA-52BBBBB01180.31 BB01
0214j8v_I_DA-52_DC-51BBwBB02420.36 BB02
0224j8v_I_DC-51_DT-50NANNANT00.35 BB14
0234j8v_I_DT-50_DA-49BBBBB00600.20 BB00
0244j8v_I_DA-49_DC-48BBBBB01320.30 BB01
0254j8v_I_DC-48_DC-47miBBB10710.21 BB10
0264j8v_I_DC-47_DA-46BB2BB07160.39 BB07
0274j8v_I_DA-46_DA-45B12BB04310.37 BB04
0284j8v_I_DA-45_DA-44B12BB05440.30 BB05
0294j8v_I_DA-44_DA-43BBwBB16160.35 BB16
0304j8v_I_DA-43_DG-42B-ABA05550.46 BA05
0314j8v_I_DG-42_DT-41BBBBB01590.19 BB01
0324j8v_I_DT-41_DG-40BBBBB01590.23 BB01
0334j8v_I_DG-40_DT-39BBBBB00770.27 BB00
0344j8v_I_DT-39_DA-38B12BB04490.31 BB04
0354j8v_I_DA-38_DT-37BBBBB00300.42 BB00
0364j8v_I_DT-37_DT-36BBBBB00520.35 BB00
0374j8v_I_DT-36_DT-35BBBBB00600.20 BB00
0384j8v_I_DT-35_DG-34BB2BB07240.35 BB07
0394j8v_I_DG-34_DG-33BBBBB00700.26 BB00
0404j8v_I_DG-33_DA-32BB2BB07240.25 BB07
0414j8v_I_DA-32_DA-31miBBB14730.28 BB14
0424j8v_I_DA-31_DA-30miBBB10540.23 BB10
0434j8v_I_DA-30_DC-29B12BB04830.25 BB04
0444j8v_I_DC-29_DT-28BBwBB17750.22 BB17
0454j8v_I_DT-28_DG-27NANNANT00.18 BB07
0464j8v_I_DG-27_DC-26B12BB04410.36 BB04
0474j8v_I_DC-26_DT-25NANNANT00.54 BB08
0484j8v_I_DT-25_DC-24BBBBB00500.64 BB00
0494j8v_I_DC-24_DC-23BB2BB07340.22 BB07
0504j8v_I_DC-23_DA-22BBBBB00470.40 BB00
0514j8v_I_DA-22_DT-21BBBBB01530.29 BB01
0524j8v_I_DT-21_DC-20BBBBB00220.22 BB00
0534j8v_I_DC-20_DA-19miBBB10340.49 BB10
0544j8v_I_DA-19_DA-18BBBBB00560.28 BB00
0554j8v_I_DA-18_DA-17BBBBB01100.32 BB01
0564j8v_I_DA-17_DA-16BBBBB01690.20 BB01
0574j8v_I_DA-16_DG-15miBBB10360.28 BB10
0584j8v_I_DG-15_DG-14BB2BB07410.45 BB07
0594j8v_I_DG-14_DC-13BBBBB00390.27 BB00
0604j8v_I_DC-13_DA-12BB2BB07330.33 BB07
0614j8v_I_DA-12_DT-11B-ABA05470.23 BA05
0624j8v_I_DT-11_DG-10NANNANT00.62 BB10
0634j8v_I_DG-10_DT-9BBBBB00370.39 BB00
0644j8v_I_DT-9_DT-8BBBBB00680.14 BB00
0654j8v_I_DT-8_DC-7BBBBB00600.28 BB00
0664j8v_I_DC-7_DA-6BB2BB07700.34 BB07
0674j8v_I_DA-6_DG-5BBBBB00670.26 BB00
0684j8v_I_DG-5_DC-4BB2BB07510.23 BB07
0694j8v_I_DC-4_DT-3BBBBB00630.25 BB00
0704j8v_I_DT-3_DG-2BBBBB00740.26 BB00
0714j8v_I_DG-2_DA-1B12BB04450.13 BB04
0724j8v_I_DA-1_DA0BBBBB00830.17 BB00
0734j8v_I_DA0_DT1BBBBB00800.15 BB00
0744j8v_I_DT1_DC2BBBBB00810.20 BB00
0754j8v_I_DC2_DA3B12BB04470.36 BB04
0764j8v_I_DA3_DG4BBBBB00880.16 BB00
0774j8v_I_DG4_DC5B12BB04500.36 BB04
0784j8v_I_DC5_DT6NANNANT00.27 BB07
0794j8v_I_DT6_DG7BB2BB07210.49 BB07
0804j8v_I_DG7_DA8B12BB04670.26 BB04
0814j8v_I_DA8_DA9BBBBB00470.19 BB00
0824j8v_I_DA9_DC10BBBBB00620.24 BB00
0834j8v_I_DC10_DA11miBBB10640.38 BB10
0844j8v_I_DA11_DT12BBBBB00880.16 BB00
0854j8v_I_DT12_DG13miBBB10460.35 BB10
0864j8v_I_DG13_DC14BBBBB00320.23 BB00
0874j8v_I_DC14_DC15BB2BB07240.51 BB07
0884j8v_I_DC15_DT16BBBBB00640.17 BB00
0894j8v_I_DT16_DT17BBBBB00400.37 BB00
0904j8v_I_DT17_DT18BBBBB00720.18 BB00
0914j8v_I_DT18_DT19BBBBB00680.21 BB00
0924j8v_I_DT19_DG20BBBBB00610.41 BB00
0934j8v_I_DG20_DA21miBBB10500.46 BB10
0944j8v_I_DA21_DT22BBBBB00460.37 BB00
0954j8v_I_DT22_DG23BBwBB11540.35 BB11
0964j8v_I_DG23_DG24BBwBB17430.39 BB17
0974j8v_I_DG24_DA25BB2BB07540.35 BB07
0984j8v_I_DA25_DG26BBBBB00860.20 BB00
0994j8v_I_DG26_DC27BB2BB07280.22 BB07
1004j8v_I_DC27_DA28BBBBB00580.32 BB00
1014j8v_I_DA28_DG29B12BB04740.19 BB04
1024j8v_I_DG29_DT30B-ABA05400.29 BA05
1034j8v_I_DT30_DT31BBBBB00230.31 BB00
1044j8v_I_DT31_DT32miBBB10420.42 BB10
1054j8v_I_DT32_DC33NANNANT00.58 BB16
1064j8v_I_DC33_DC34B12BB04320.29 BB04
1074j8v_I_DC34_DA35BB2BB07570.23 BB07
1084j8v_I_DA35_DA36BBBBB00600.18 BB00
1094j8v_I_DA36_DA37miBBB10130.39 BB10
1104j8v_I_DA37_DT38BBBBB00700.30 BB00
1114j8v_I_DT38_DA39BBBBB00840.31 BB00
1124j8v_I_DA39_DC40NANNANT00.43 BA09
1134j8v_I_DC40_DA41A-BAB05100.39 AB05
1144j8v_I_DA41_DC42miBBB10530.19 BB10
1154j8v_I_DC42_DT43BBwBB17440.31 BB17
1164j8v_I_DT43_DT44BBBBB00180.37 BB00
1174j8v_I_DT44_DT45B-ABA01530.20 BA01
1184j8v_I_DT45_DT46NANNANT00.35 AB02
1194j8v_I_DT46_DG47BBBBB00330.47 BB00
1204j8v_I_DG47_DG48BBBBB00640.30 BB00
1214j8v_I_DG48_DT49BBBBB00440.24 BB00
1224j8v_I_DT49_DA50miBBB10460.23 BB10
1234j8v_I_DA50_DG51B-ABA08560.26 BA08
1244j8v_I_DG51_DT52B-ABA05650.19 BA05
1254j8v_I_DT52_DA53A-BAB03520.25 AB03
1264j8v_I_DA53_DT54NANNANT00.35 BB17
1274j8v_I_DT54_DC55BBBBB00620.34 BB00
1284j8v_I_DC55_DT56BBBBB00540.34 BB00
1294j8v_I_DT56_DG57BB2BB07530.29 BB07
1304j8v_I_DG57_DC58BBBBB00580.27 BB00
1314j8v_I_DC58_DA59BB2BB07820.30 BB07
1324j8v_I_DA59_DG60NANNANT00.42 BB11
1334j8v_I_DG60_DG61BBBBB00170.35 BB00
1344j8v_I_DG61_DT62BBBBB01590.21 BB01
1354j8v_I_DT62_DG63BBwBB17680.26 BB17
1364j8v_I_DG63_DG64miBBB14740.26 BB14
1374j8v_I_DG64_DA65BBBBB00380.50 BB00
1384j8v_I_DA65_DT66BBwBB17730.27 BB17
1394j8v_I_DT66_DA67miBBB10450.49 BB10
1404j8v_I_DA67_DT68BBBBB01900.13 BB01
1414j8v_I_DT68_DT69BBBBB01850.15 BB01
1424j8v_I_DT69_DG70BBBBB00860.18 BB00
1434j8v_I_DG70_DA71B12BB04160.13 BB04
1444j8v_I_DA71_DT72BBBBB01580.26 BB01
1454j8v_J_DA-72_DT-71NANNANT00.43 AB04
1464j8v_J_DT-71_DC-70NANNANT00.51 AB02
1474j8v_J_DC-70_DA-69BB2BB07520.27 BB07
1484j8v_J_DA-69_DA-68B-ABA17740.24 BA17
1494j8v_J_DA-68_DT-67BBBBB00250.29 BB00
1504j8v_J_DT-67_DA-66BB2BB07550.29 BB07
1514j8v_J_DA-66_DT-65BBBBB01840.13 BB01
1524j8v_J_DT-65_DC-64BBBBB00410.26 BB00
1534j8v_J_DC-64_DC-63BBBBB00610.21 BB00
1544j8v_J_DC-63_DA-62B12BB04390.28 BB04
1554j8v_J_DA-62_DC-61BBBBB00740.20 BB00
1564j8v_J_DC-61_DC-60BBBBB00810.28 BB00
1574j8v_J_DC-60_DT-59BBBBB00950.19 BB00
1584j8v_J_DT-59_DG-58BB2BB07500.38 BB07
1594j8v_J_DG-58_DC-57miBBB14730.30 BB14
1604j8v_J_DC-57_DA-56BB2BB07440.37 BB07
1614j8v_J_DA-56_DG-55BBBBB00480.32 BB00
1624j8v_J_DG-55_DA-54B-ABA08720.33 BA08
1634j8v_J_DA-54_DT-53BBBBB01170.29 BB01
1644j8v_J_DT-53_DA-52B12BB0490.33 BB04
1654j8v_J_DA-52_DC-51BBwBB17840.17 BB17
1664j8v_J_DC-51_DT-50NANNANT00.35 BB10
1674j8v_J_DT-50_DA-49NANNANT00.34 BB14
1684j8v_J_DA-49_DC-48NANNANT00.39 BB00
1694j8v_J_DC-48_DC-47B12BB04120.45 BB04
1704j8v_J_DC-47_DA-46BB2BB0760.28 BB07
1714j8v_J_DA-46_DA-45miBBB10450.39 BB10
1724j8v_J_DA-45_DA-44NANNANT00.46 BB08
1734j8v_J_DA-44_DA-43BBwBB17430.54 BB17
1744j8v_J_DA-43_DG-42miBBB10360.38 BB10
1754j8v_J_DG-42_DT-41BBBBB00320.31 BB00
1764j8v_J_DT-41_DG-40NANNANT00.43 BB17
1774j8v_J_DG-40_DT-39BBwBB17220.34 BB17
1784j8v_J_DT-39_DA-38miBBB14660.20 BB14
1794j8v_J_DA-38_DT-37BBBBB00660.41 BB00
1804j8v_J_DT-37_DT-36B12BB04120.23 BB04
1814j8v_J_DT-36_DT-35BBBBB00510.20 BB00
1824j8v_J_DT-35_DG-34BB2BB07340.32 BB07
1834j8v_J_DG-34_DG-33BBBBB00670.26 BB00
1844j8v_J_DG-33_DA-32BB2BB07370.34 BB07
1854j8v_J_DA-32_DA-31NANNANT00.36 BB14
1864j8v_J_DA-31_DA-30NANNANT00.30 AB02
1874j8v_J_DA-30_DC-29BBBBB01700.22 BB01
1884j8v_J_DC-29_DT-28BBBBB00620.23 BB00
1894j8v_J_DT-28_DG-27BB2BB07400.34 BB07
1904j8v_J_DG-27_DC-26BBBBB00840.33 BB00
1914j8v_J_DC-26_DT-25BB2BB07760.36 BB07
1924j8v_J_DT-25_DC-24NANNANT00.42 BB10
1934j8v_J_DC-24_DC-23BB2BB07520.23 BB07
1944j8v_J_DC-23_DA-22BBBBB00770.30 BB00
1954j8v_J_DA-22_DT-21BBBBB01720.22 BB01
1964j8v_J_DT-21_DC-20B-ABA0180.32 BA01
1974j8v_J_DC-20_DA-19NANNANT00.44 BB14
1984j8v_J_DA-19_DA-18NANNANT00.43 BB00
1994j8v_J_DA-18_DA-17miBBB10670.36 BB10
2004j8v_J_DA-17_DA-16B12BB04390.34 BB04
2014j8v_J_DA-16_DG-15B12BB04650.28 BB04
2024j8v_J_DG-15_DG-14BB2BB07420.45 BB07
2034j8v_J_DG-14_DC-13BBBBB00770.22 BB00
2044j8v_J_DC-13_DA-12BBBBB00830.21 BB00
2054j8v_J_DA-12_DT-11BBBBB00380.21 BB00
2064j8v_J_DT-11_DG-10BBBBB00690.29 BB00
2074j8v_J_DG-10_DT-9BBBBB00690.26 BB00
2084j8v_J_DT-9_DT-8BBBBB01730.20 BB01
2094j8v_J_DT-8_DC-7BBBBB00300.35 BB00
2104j8v_J_DC-7_DA-6BB2BB07760.29 BB07
2114j8v_J_DA-6_DG-5BBBBB00680.28 BB00
2124j8v_J_DG-5_DC-4BB2BB07610.19 BB07
2134j8v_J_DC-4_DT-3BBBBB00750.24 BB00
2144j8v_J_DT-3_DG-2BBBBB00890.19 BB00
2154j8v_J_DG-2_DA-1BBBBB00680.34 BB00
2164j8v_J_DA-1_DT0BBBBB00670.23 BB00
2174j8v_J_DT0_DT1BBBBB00750.21 BB00
2184j8v_J_DT1_DC2BBBBB00590.24 BB00
2194j8v_J_DC2_DA3miBBB10660.44 BB10
2204j8v_J_DA3_DG4BB2BB07100.34 BB07
2214j8v_J_DG4_DC5B-ABA17730.22 BA17
2224j8v_J_DC5_DT6A-BAB02610.32 AB02
2234j8v_J_DT6_DG7NANNANT00.62 BB08
2244j8v_J_DG7_DA8B12BB04620.34 BB04
2254j8v_J_DA8_DA9BBBBB01800.22 BB01
2264j8v_J_DA9_DC10B-ABA05600.20 BA05
2274j8v_J_DC10_DA11NANNANT00.62 BB17
2284j8v_J_DA11_DT12BBBBB00450.38 BB00
2294j8v_J_DT12_DG13BB2BB07420.39 BB07
2304j8v_J_DG13_DC14B12BB04510.27 BB04
2314j8v_J_DC14_DC15NANNANT00.66 BA08
2324j8v_J_DC15_DT16B12BB04170.32 BB04
2334j8v_J_DT16_DT17BBBBB00640.23 BB00
2344j8v_J_DT17_DT18BBBBB00820.13 BB00
2354j8v_J_DT18_DT19BBBBB00910.12 BB00
2364j8v_J_DT19_DG20B12BB04420.43 BB04
2374j8v_J_DG20_DA21miBBB10740.36 BB10
2384j8v_J_DA21_DT22BBBBB00870.28 BB00
2394j8v_J_DT22_DG23BBwBB11590.38 BB11
2404j8v_J_DG23_DG24NANNANT00.53 BB17
2414j8v_J_DG24_DA25BB2BB07620.27 BB07
2424j8v_J_DA25_DG26BBBBB00500.31 BB00
2434j8v_J_DG26_DC27BB2BB07650.15 BB07
2444j8v_J_DC27_DA28BBBBB00790.25 BB00
2454j8v_J_DA28_DG29BBBBB00590.40 BB00
2464j8v_J_DG29_DT30BBBBB00880.15 BB00
2474j8v_J_DT30_DT31BBBBB00500.32 BB00
2484j8v_J_DT31_DT32miBBB10740.26 BB10
2494j8v_J_DT32_DC33B12BB04480.48 BB04
2504j8v_J_DC33_DC34BB2BB07710.23 BB07
2514j8v_J_DC34_DA35BB2BB07700.31 BB07
2524j8v_J_DA35_DA36BBBBB00600.31 BB00
2534j8v_J_DA36_DA37B-ABA08850.19 BA08
2544j8v_J_DA37_DT38A-BAB01590.26 AB01
2554j8v_J_DT38_DA39BBBBB00660.23 BB00
2564j8v_J_DA39_DC40miBBB10510.32 BB10
2574j8v_J_DC40_DA41BBBBB00140.40 BB00
2584j8v_J_DA41_DC42BBwBB11530.31 BB11
2594j8v_J_DC42_DT43BBwBB17730.24 BB17
2604j8v_J_DT43_DT44NANNANT00.48 BA08
2614j8v_J_DT44_DT45BBBBB01600.20 BB01
2624j8v_J_DT45_DT46miBBB10510.32 BB10
2634j8v_J_DT46_DG47BB2BB07360.21 BB07
2644j8v_J_DG47_DG48NANNANT00.55 BB17
2654j8v_J_DG48_DT49BBBBB00530.33 BB00
2664j8v_J_DT49_DA50NANNANT00.60 BB07
2674j8v_J_DA50_DG51miBBB10850.36 BB10
2684j8v_J_DG51_DT52BBBBB01640.22 BB01
2694j8v_J_DT52_DA53BBBBB01620.25 BB01
2704j8v_J_DA53_DT54BBBBB00430.29 BB00
2714j8v_J_DT54_DC55BBBBB00390.40 BB00
2724j8v_J_DC55_DT56BBBBB00110.28 BB00
2734j8v_J_DT56_DG57BB2BB07780.24 BB07
2744j8v_J_DG57_DC58BBBBB00450.27 BB00
2754j8v_J_DC58_DA59BB2BB07870.21 BB07
2764j8v_J_DA59_DG60BBBBB00770.24 BB00
2774j8v_J_DG60_DG61B-ABA08540.27 BA08
2784j8v_J_DG61_DT62B-ABA05160.27 BA05
2794j8v_J_DT62_DG63A-BAB05500.34 AB05
2804j8v_J_DG63_DG64miBBB10890.17 BB10
2814j8v_J_DG64_DA65B12BB04540.35 BB04
2824j8v_J_DA65_DT66BBwBB17360.40 BB17
2834j8v_J_DT66_DA67miBBB13770.26 BB13
2844j8v_J_DA67_DT68BBBBB00270.41 BB00
2854j8v_J_DT68_DT69BBBBB00800.19 BB00
2864j8v_J_DT69_DG70BBBBB00840.25 BB00
2874j8v_J_DG70_DA71B12BB04910.21 BB04
2884j8v_J_DA71_DT72BBBBB00850.24 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 )

Show




Color by conformation group (pyramids)

group
visible

Color by NtC (balls)

A

A-B

B-A

B

IC

OPN

Z

N