Equilibrium Data Formulas

From Foldeomics Wiki

PFD uses formulas for calculating some of the data entered.
Below is a list of formulas used for Equilibrium Calculated Data.

Note: In mutant template examples the symbols '$' & '#' refer to wildtype & mutant respectively.

Contents 1 ∆GD-N(m) 1.1 Kilocalories 1.2 Mutant Template 2 ∆GD-N <m> 2.1 Kilocalories 2.2 Mutant Template 3 ∆∆GD-NH2O(m) 3.1 Kilocalories 3.2 Mutant Template 4 ∆∆GD-NH2O <m> 4.1 Kilocalories 4.2 Mutant Template

∆G_D-N(m)

Kilocalories

∆G_D-N(m) = D[50%] * m_D-N
∆G_D-N(m) error = ((D[50%]² * m_D-N error²) + (m_D-N² * D[50%] error²)/2)

Mutant Template

U = N*P
V = ((N²*Q²)+(P²*O²))/2

∆G_D-N <m>

Kilocalories

∆G_D-N <m> = d[50%] * m_D-N avg
∆G_D-N <m> error = (((d[50%]*m_D-N avg error)²) + ((m_D-N avg * d[50%] error)²)/2)

Mutant Template

W = N*R
X = ((N*S)²+(R*O)²)/2

∆∆G_D-NH₂O(m)

Kilocalories

∆∆G_D-NH₂O(m) = ∆G_D-N(m) of wildtype - ∆G_D-N(m) of mutant
∆∆G_D-NH₂O(m) error = ✓(((∆G_D-N(m) error of mutant)²) + (( ∆G_D-N(m) error of wildtype)²))

Mutant Template

Y = (U$-U#)
Z = ✓(V#²+V$²)

∆∆G_D-NH₂O <m>

Kilocalories

∆∆G_D-NH₂O <m> = ∆G_D-N<m> of wildtype - ∆G_D-N of mutant
∆∆G_D-NH₂O <m> = ✓(((∆G_D-N<m> error of mutant)²) + (( ∆G_D-N<m> error of wildtype)²))

Mutant Template

AA = W$-W#
AB = ✓(X#²+X$²)

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Mark Bate 09:17, 5 September 2006 (EST)