If excitation has an electronic nature, inequality will be reversed: |M ⊥| > |M |||. This difference may be detected experimentally, and the answer of the question about the physical nature of excitation may be obtained. New equilibrium values of distances, which actually coincide with the step of alpha-helices,

are determined using the general condition of minimization: . When interactions between peptide groups are FHPI modeled as purely dipole, the step of the alpha-helix always decreases and is given by (3) Next, we must substitute (3) in (2), take into account the condition , designate w(R 0) ≡ w ||, D(R 0) ≡ D ||, , and introduce convenient re-designation: M || = −|M ||| ≡ −2Λ, M ⊥ = |M ⊥| ≡ 2Π, which take into account the true signs. Then for the functional (2), finally, the following selleck screening library formula will be obtained: (4) In Equation 4, E осн = (w ⊥ + w ||)N 0 + D ⊥ + D ||, and the following is taken into account: N 0 is the number of amino acid residues in the alpha-helical region of the https://www.selleckchem.com/products/tpx-0005.html protein molecule, which is under consideration. Further, for implementation

of the conditional minimization of energy (4) in relation to wave functions A αn , it is necessary to create a conditional functional: . From a mathematical point of view, parameter ϵ is an indefinite Lagrange multiplier, and physically, it is the eigenvalue of the considered system. The minimization procedure produces the equation Λ(A α,n + 1 + A α,n − 1) + G|A αn |2 A αn − Π(A α + 1,n + A α − 1,n ) + ϵA αn = 0.

After Glutathione peroxidase dividing this equation by Λ and introducing the notations, (5) it is possible to reduce it to a dimensionless form: (6) The function A αn is complex. Therefore, the common solution of the system (6) has the form A αn = a αn · exp(iγ αn ). Amplitude a αn and phase γ αn are real functions of the variables α and n. We confine ourselves to the Hamiltonian-Lagrangian approximation in phase [8]. Due to the stationarity of the solved problem, this approximation has the simplest form: γ αn ≡ kn. If the alpha-helical part of the molecule is long enough,b a Born-Karman condition gives . Here, is the number of turns in the considered alpha-helical region of the protein molecule. It plays the role of the dimensionless length of the helical region of the protein in units of an alpha-helix step. Parameter j has the values . Then (7) and Equation 6 takes the form Separating real and imaginary parts, we have the following formulae: (8) (9) The solution of this system is usually determined after transition to continuous approximation. But we will analyze systems (8) and (9) without using the continuous approximation, because we are interested in very short alpha-helical regions (10 to 30 turns).