3 Helix-coil structural methods and forces that stabilize proteins.pdf

3 Helix-coil structural methods and forces that stabilize proteins.pdf

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Unformatted text preview:    $        $%  &      $    )    (!+    !  "#       !       *(% )($*('&          '        " *#          !      '     +#      (  '           +)      #     %  &" *# '    ' # +#     (   $  )# ΔG° = ΔH ° H −bonds − TΔS °  !           !               !     "! #  ' " #      )& *$(%        !             ΔG° = ΔH ° H −bonds − TΔS °   !                      − TΔS ° ΔH ° H −bonds      "! % & ' ( ) * $ % & ' ( ) $ $ $ $ % &                    "!       ΔH ° H −bonds = (n − 4)(−1.4kcal/mol)                              ΔH ° H −bonds = (11 − 4)(−1.4kcal/mol) = −9.8kcal/mol         ΔS ° = ΔS °config (n − 1) ΔS°config = Rln W2 W1   &         ΔS °config = R ln 1 8                 $%!( '#$     "                  ,.*$0-# ΔG° = ΔH ° H −bonds − TΔS °  1*/(&-)(&+$- %)'(&+)('+$, %)                     *     $ (#& & "'(&)(#" ' %&('$)("' !" !!"(!#")("   "" "%"("%")   "# "&&("&$) "   "" * slope = −0.2kcal/(mol ⋅ residue)       '     ###      " *#          !      '     +#      (  '           +)     %  &" *# '    ' # +#     (     )                                  $                             ΔS °config = R ln 1 16    R ln 1 8   )+   #       -%(", $ !-%("* $    .& helix becomes less stable as size is increased                     !     "                            ΔG ° = − RT ln [h ] [c]   " "   0 = ΔH ° Hbonds − Tm ΔS °config  ΔH ° Hbonds Tm = ΔS °config (n − 4)( −1400cal/mol) = Tm ( n − 1)(−4.1cal⋅K-1 ⋅mol-1)  !    Tm = (36)(−1400cal/mol) = 315K = 42°C (39)(−4.1cal/K ⋅ mol)            !         #!&               "!!&  "!!&                                                                                             !                                             $*(!)"                         #&!'"                  #      !                                   " !        !                                                     !                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            &$     !'' !%$#                                                                                "      #              β#                          !          $                                %  (!     '        !     $      & ) !   "#         #          #                            '  (    (         &     "       )     !  "*(+ + %%  %+  %    % " "         " "    )#%"" ( # ")  ,$+ %  , "* !"  ## &   !"    # !       !(  " !   #   '   !    # +. *).    !(! !!  (!     !    $     %              )  *   !               & '       $  +&& & %   !     *  &  #    # #   !) #  # * $) #     # $#               )"$ &"$                       )"$ &"$ '"( %") !'         " ( " "  "& "      "     ' !,+  )-++#*  # #  +# ,)    "  + #$   * %+ $   . /+ 0 21(  0 0          +))     $,!$! # (!) *   /  .    ! .    !$  !' "" # +  ", "    % # # ' +  $'##  $  #-  #  /$  # # #+ ' # #!# $# 01 &!'%. !(!#  ' ,$         ( )  #       "   (" "/,)           (   )    !  .( )' + - !   !                                                                                                    #')    #&&   #('                *!$% %                                                                                                         #  $  !       "  #  $                                                                     " $  #       !                                                                                                         ) /*   "+  # &     ( / . (   (          '!&      (  1  1 ) .*  ! &  %       0--        ' %      ",  (  "  %  ( # ($      # '$    ( *)!      (     *)                                                      !  #                  "  $    $ %              !"    #         !!                                            !     !                                          #   $                                                          ! "  ! "   '(&%                                              !                                                                                       ΔG° = G° folded − G°unfolded  !  ! % 635,)1)/. ( 3 ! ! )  %,2. (  63                         !,1... 013# $' !   !    )          &    !$ !  !* !+                                     !      !       "      !            #! $! %! &!            "                                                                           $%& %'                                          "# "$ !          "  #!                                 U vdw   ⎡⎛ Rmin ij = ε ij ⎢⎜ ⎜ ⎢⎝ rij ⎣        12 ⎞ ⎛R ⎟ − 2⎜ min ij ⎟ ⎜ r ⎠ ⎝ ij ⎞ ⎟ ⎟ ⎠                                ,       #  *#    *#   (+'#,)$) &  %        "                           6 ⎤ ⎥ ⎥ ⎦            ...
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