Research Article

A Parallel Framework for Multipoint Spiral Search in ab Initio Protein Structure Prediction

Table 2

The BM energy model by Berrera et al. [25].

Cys −3.477

Met−2.24−1.901
Phe−2.424−2.304−2.467
Ile−2.41−2.286−2.53−2.691
Leu−2.343−2.208−2.491−2.647−2.501
Val−2.258−2.079−2.391−2.568−2.447−2.385
Trp−2.08−2.09−2.286−2.303−2.222−2.097−1.867
Tyr−1.892−1.834−1.963−1.998−1.919−1.79−1.834−1.335
Ala−1.7−1.517−1.75−1.872−1.728−1.731−1.565−1.318−1.119
Gly−1.101−0.897−1.034−0.885−0.767−0.756−1.142−0.818−0.290.219

Thr −1.243−0.999−1.237−1.36−1.202−1.24−1.077−0.892−0.717−0.311−0.617
Ser −1.306−0.893−1.178−1.037−0.959−0.933−1.145−0.859−0.607−0.261−0.548−0.519
Gln −0.835−0.72−0.807−0.778−0.729−0.642−0.997−0.687−0.3230.033−0.342−0.260.054
Asn −0.788−0.658−0.79−0.669−0.524−0.673−0.884−0.67−0.371−0.23−0.463−0.423 −0.253−0.367
Glu −0.179−0.209−0.419−0.439−0.366−0.335−0.624−0.453−0.0390.443−0.192−0.161 0.1790.160.933
Asp −0.616−0.409−0.482−0.402−0.291−0.298−0.613−0.631−0.235−0.097−0.382−0.521 0.022−0.3440.6340.179
His −1.499−1.252−1.33−1.234−1.176−1.118−1.383−1.222−0.646−0.325−0.72−0.639 −0.29−0.455−0.324−0.664−1.078
Arg −0.771−0.611−0.805−0.854−0.758−0.664−0.912−0.745−0.327−0.05−0.247−0.264 −0.042−0.114−0.374−0.584−0.3070.2
Lys −0.112−0.146−0.27−0.253−0.222−0.2−0.391−0.3490.1960.5890.1550.2230.334 0.271−0.057−0.1760.3880.8151.339

Pro−1.196−0.788−1.076−0.991−0.771−0.886−1.278−1.067−0.374−0.042−0.222−0.199 −0.035−0.0180.2570.189−0.346−0.0230.6610.129

Cys Met Phe Ile Leu Val Trp Tyr Ala Gly Thr Ser Gln Asn Glu Asp His Arg Lys Pro