Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Transition states in protein folding kinetics: Modeling Phi-values of
  small beta-sheet proteins   Small single-domain proteins often exhibit only a single free-energy barrier,
or transition state, between the denatured and the native state. The folding
kinetics of these proteins is usually explored via mutational analysis. A
central question is which structural information on the transition state can be
derived from the mutational data. In this article, we model and structurally
interpret mutational Phi-values for two small beta-sheet proteins, the PIN and
the FBP WW domain. The native structure of these WW domains comprises two
beta-hairpins that form a three-stranded beta-sheet. In our model, we assume
that the transition state consists of two conformations in which either one of
the hairpins is formed. Such a transition state has been recently observed in
Molecular Dynamics folding-unfolding simulations of a small designed
three-stranded beta-sheet protein. We obtain good agreement with the
experimental data (i) by splitting up the mutation-induced free-energy changes
into terms for the two hairpins and for the small hydrophobic core of the
proteins, and (ii) by fitting a single parameter, the relative degree to which
hairpin 1 and 2 are formed in the transition state. The model helps to
understand how mutations affect the folding kinetics of WW domains, and
captures also negative Phi-values that have been difficult to interpret.

29
The categories of this paper are: funct-an
30
The categories of this paper are: q-alg
6
The categories of this paper are: astro-ph
3
The categories of this paper are: physics
19
The categories of this paper are: eess
37
The categories of this paper are: supr-con
16
The categories of this paper are: stat
7
The categories of this paper are: hep-th
28
The categories of this paper are: alg-geom
15
The categories of this paper are: nucl-ex
13
The categories of this paper are: quant-ph
23
The categories of this paper are: solv-int
12
The categories of this paper are: nucl-th
31
The categories of this paper are: ao-sci
8
The categories of this paper are: hep-ex
36
The categories of this paper are: cmp-lg