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Click to edit Master title style<= /div> ------=_NextPart_01C6F428.38D1CAA0 Content-Location: file:///C:/A0B43D98/alpha-helix_files/master32.xml Content-Transfer-Encoding: quoted-printable Content-Type: text/xml; charset="utf-8" ------=_NextPart_01C6F428.38D1CAA0 Content-Location: file:///C:/A0B43D98/alpha-helix_files/pres.xml Content-Transfer-Encoding: quoted-printable Content-Type: text/xml; charset="utf-8" ------=_NextPart_01C6F428.38D1CAA0 Content-Location: file:///C:/A0B43D98/alpha-helix_files/slide0001.htm Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset="us-ascii" Slide 1
The worm turns:
The helix-coil transition
on the worm-like chain
Alex J. Levine
UCLA, Department of Chemistry & Biochemist= ry
UCLA Department of Biomathematics =
February 2006
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Collaborator: Budd= apriya Chakrabarti
1.Alex J. Levine R= 20;The helix/coil transition on the worm-like chain” Submitted to Physic= al Letters PRL Submitted
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2.Buddhapriya Chakrab= arti and Alex J. Levine “The nonlinear elasticity of an alpha-helical polypeptide” PRE 2005
<= span style=3D'font-family:"Times New Roman";font-size:111%;visibility:hidden'><= span style=3D'mso-special-format:"numbullet3\,1";position:absolute;left:-4.47%'= >3. <= /span>
3.Buddhapriya Chakrab= arti and Alex J. Levine “Monte Carlo investigation of the nonlinear elasticity of an alpha-helical polypeptide.” PRE Submitted
References and collaborators
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file:///C:/A0B43D98/alpha-helix_files/slide0003.htm Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset="us-ascii" Slide 1
The space-filling picture showing
all atoms.
<= span style=3D'font-family:"Times New Roman"'>• Ca= rbon
<= span style=3D'font-family:"Times New Roman"'>• Oxygen
<= span style=3D'font-family:"Times New Roman"'>• Nitrogen
The cartoon picture showing
the secondary structures.
<= span style=3D'font-family:"Times New Roman"'>• The red i= s an a-helix <= /span>
• The yello= w is a b<= span style=3D'font-family:"Times New Roman"'>• The gray = is random coil
Carboxypeptidase: data from x-ray diffraction. I. Massova et al. = J. Am. Chem. Soc. <= b>118, 12479 (1996).
Protein mechanics: The appropriate level of description?
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A first step toward protein mechanics
Proteins often chan= ge conformational states in a manner related to their
biological activity= .
Conformational change between =
apo and Calcium-loaded states =
of Calmodulin N-terminal domains.<= /span>
From: S. Meiyappan, = R. Raghavan, R. Viswanathan, Y Yu, and W. Layton Preprint (2004).
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quoted-printable Content-Type: text/html; charset="us-ascii" Slide 1
Towards a lower-dimensional dynamical model
Proposal: Take secondary structures as fundamental, nonlinear elastic elements
Coarse-grained mechanics informed by multi-scale numerical modeling = ;
Q.= How is this different from the simple worm-like chain?
A.= This model has internal degrees of freedom representing secondary
st= ructure.
Coarse-graining the a helix
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file:///C:/A0B43D98/alpha-helix_files/slide0005.htm Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset="us-ascii" Slide 1
The worm-like chain and semiflexible polymers
There is an energy cost associated with chain curvature – enhances the
statistical weight of straight conformations on the len= gth scale k/T
F-actin: Persistence length=
MacKintosh, Käs, Jamney (1995)
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Bending modulus depends on secondary structure
The bending stiffness of the alpha= helix is enhanced by hydrogen bonding between
helical turns.
A model treating sec= ondary structure as a two-state variable – Helix/coil= 3;
A  model for the conformational degr= ees of freedom of a semiflexible chain – Worm-like chain
Couple them through the bending modulus:
Helix/= coil on the worm-like chain
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The helix/coil worm-like chain: Pictorial
Equivalent descript= ions
n-1        = ;            &n= bsp;          n        = ;            &n= bsp;      n+1     &= nbsp;       
Tangent vector:
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file:///C:/A0B43D98/alpha-helix_files/slide0008.htm Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset="us-ascii" Slide 1
The Hamiltonian: HCWLC
Local thermodynamic driving force to native structure.
Energy cost of a dom= ain wall between helical and random coil regions.
Helical regions are stiffer
than random coil regions.
n-1        = ;            &n= bsp;          n        = ;            &n= bsp;      n+1     &= nbsp;       
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