Pathogenic α1-antitrypsin polymers are formed by reactive loop-β-sheet a linkage*

HIGHLIGHTS

• who: Pasupathy Sivasothy from the in an extended polymer may participate in FRET with a donor on the n ⫹ , monomer as well as n ⫹, n ⫹, etc, and n ⫺, n ⫺, . . . . We have developed a computational method that automates this analysis. The program CharmM was used to develop an algorithm that performs an exhaustive search of possible conformations of ␣1-antitrypsin polymers. Calculations of theoretical efficiencies for transfers from n ⫺ , to n ⫹ , were then made for each new conformation, and a total efficiency for the conformation was calculated. This allowed us to test almost , million conformations. A heptameric model . . .
  

   

  

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