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Thermodynamic Parameters Based on a Nearest-Neighbor Model for DNA Sequences with a Single-Bulge Loop
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All 64 possible thermodynamic parameters for a single-bulge loop in the middle of a sequencewere derived from optical melting studies. The relative stability of a single bulge depended on both thetype of bulged base and its flanking base pairs. The contribution of the single bulge to helix stabilityranged from 3.69 kcal/mol for a TAT bulge to -1.05 kcal/mol for an ACC bulge. Thermodynamics for10 sequences with a GTG bulge were determined to test the applicability of the nearest-neighbor modelto a single-bulge loop. Thermodynamic parameters for the GTG bulge and Watson-Crick base pairspredict f">, fchars/Delta.gif" BORDER=0 >Hf">, fchars/Delta.gif" BORDER=0 >Sf">, and TM(50 f">M) values with average deviations of 3.0%, 4.3%, 4.7%, and 0.9f">C, respectively. The prediction accuracy was within the limits of what can be expected for a nearest-neighbor model. This certified that the thermodynamics for single-bulge loops can be estimated adequatelyusing a nearest-neighbor model.

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