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. Author manuscript; available in PMC: 2010 Dec 1.
Published in final edited form as: Chem Phys. 2005 Dec 7;319(1-3):283–296. doi: 10.1016/j.chemphys.2005.05.017

Table 3. Distance of most probable transfer (r*) for wild type SLO and two mutants as a function of quantum number (n) of the acceptor wavefunction and type of model employed for the hydrogenic wells.

Wild type SLO Ile553 → Ala Ile553 → Gly



r*(H) (Å) r*(D) (Å) r*(H) (Å) r*(D) (Å) r*(H) (Å) r*(D) (Å)
Harmonic oscillator
r0 = 0.75 Å r0 = 1.74 Å r0 = 2.87 Å
n = 0 0.70 0.68 0.84 0.71 1.00 0.81
n = 1 0.70 0.69 0.86 0.72 1.02 0.83
n = 2 0.71 0.69 0.87 0.74 1.04 0.84
n = 3 0.71 0.69 0.89 0.75 1.05 0.86
n = 4 0.71 0.69 0.90 0.77 1.06 0.87
n = 5 0.71 0.70 0.91 0.78 1.08 0.89
Morse oscillator
r0 = 1.02 Å r0 = 2.34 Å r0 = 3.35 Å
n = 0 0.93 0.89 1.13 0.89 1.39 1.03
n = 1 0.93 0.90 1.18 0.93 1.45 1.08
n = 2 0.94 0.91 1.23 0.97 1.51 1.13
n = 3 0.95 0.92 1.28 1.01 1.58 1.18
n = 4 0.96 0.92 1.33 1.06 1.66 1.24
n = 5 0.96 0.93 1.39 1.10 1.74 1.29

Also shown is the distance (r0) between hydrogenic wells at the equilibrium position of the gating mode (rX = 0) for both the harmonic oscillator and Morse oscillator models.