Mechanical Strength of 17 134 Model Proteins and Cysteine Slipknots 英文参考文献.docVIP

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Mechanical Strength of 17 134 Model Proteins and Cysteine Slipknots 英文参考文献.doc

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Mechanical Strength of 17 134 Model Proteins and Cysteine Slipknots 英文参考文献

MechanicalStrengthof17134ModelProteinsand CysteineSlipknots MateuszSikora1.,JoannaI.Su?kowska1,2.,MarekCieplak1*. 1InstituteofPhysics,PolishAcademyofSciences,Warsaw,Poland,2CenterforTheoreticalBiologicalPhysics,UniversityofCalifornia,SanDiego,California,USA Abstract Anewtheoreticalsurveyofproteins’resistancetoconstantspeedstretchingisperformedforasetof17134proteinsas describedbyastructure-basedmodel.Theproteinsselectedhavenogapsintheirstructuredeterminationandconsistofno more than 250 amino acids. Our previous studies have dealt with 7510 proteins of no more than 150 amino acids. The proteinsarerankedaccordingtothestrengthoftheresistance.Mostofthepredictedtop-strengthproteinshavenotyet been studied experimentally. Architectures and folds which are likely to yield large forces are identified. New types of potent force clamps are discovered. They involve disulphide bridges and, in particular, cysteine slipknots. An effective energyparameterofthemodelisestimatedbycomparingthetheoreticaldataoncharacteristicforcestothecorresponding experimental values combined with an extrapolation of the theoretical data to the experimental pulling speeds. These studiesprovideguidanceforfutureexperimentsonsinglemoleculemanipulationandshouldleadtoselectionofproteins for applications. A new class of proteins, involving cystein slipknots, is identified as one that is expected to lead to the strongestforceclampsknown.Thisclassischaracterizedthroughmoleculardynamicssimulations. Citation:SikoraM,Su?kowskaJI,CieplakM(2009)MechanicalStrengthof17134ModelProteinsandCysteineSlipknots. PLoSComputBiol5(10):e1000547. doi:10.1371/journal.pcbi.1000547 Editor:AngelGarcia,RensselaerPolytechnicInstitute,UnitedStatesofAmerica ReceivedMay19,2009;AcceptedSeptember28,2009;PublishedOctober30,2009 Copyright: ? 2009 Sikora et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricteduse,distribution,andreproductioninanymedium,pr