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Equation 8 · Part 15 · Structure from Sequence: What Protein Folding Prediction Did and Did Not Settle

Numerator: 1

P(a1,…,aL)=1Zexp⁡ ⁣[∑ihi(ai)+∑i<jeij(ai,aj)],P(a_1,\ldots,a_L) = \frac{1}{Z}\exp\!\left[\sum_{i} h_i(a_i) + \sum_{i<j} e_{ij}(a_i,a_j)\right],
11

What this part means

The complete quantity above the fraction bar.

Its job in the formula

1 occurs above the fraction bar. The numerator is divided by the entire denominator below it.

The passage around this formula

The fix is to fit a global model that explains the observed column statistics with the smallest number of direct couplings. In the maximum-entropy formulation used in this literature, the probability of a full sequence takes a Potts form, P(a1,…,aL)=1Zexp⁡ ⁣[∑ihi(ai)+∑i<jeij(ai,aj)]P(a_1,\ldots,a_L) = \frac{1}{Z}\exp\!\left[\sum_{i} h_i(a_i) + \sum_{i<j} e_{ij}(a_i,a_j)\right]. with single-site fields hih_i and pair couplings eije_{ij} fitted so that the model reproduces the single-column and pairwise frequencies of the alignment. Marks and colleagues reported that the strength of the inferred couplings is a strong predictor of residue proximity in the folded structure, and that the top-scoring couplings are accurate and well-distributed enough to define a three-dimensional fold [ 5 ] . Morcos and colleagues…

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A fraction a/b means a divided by b. The top number is the numerator; the bottom number is the denominator, and it cannot be zero.

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Sources cited in the surrounding passage

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