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For each of the amino acid sequences shown in Table 1, ensemble averages and conformalional distributions were obtained from an ensemble with a sample size of 10^sup 4^ and the ensembles were generated as discussed above
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. The backbone atoms (N, C?, and C') of the most stable structural elements of both proteins, the first ?-helix of gp120 (residues 17-31), and part of the ß-sheet of CD4 consisting of residues 26-30 and 82-86 (see Fig
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. In line with the previous analysis of the functional elements, CD4-F43 shows a large intraresidue entropy reduction upon complexation (Fig
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. The conformational entropy change of gp120/CD4 complexation roughly agrees with the experimental value despite the fact that the contribution from bulk solvent was neglected in our analysis
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- The changes of thermodynamic parameters (enthalpy change ((Delta)H), entropy change ((Delta)S) and heat capacity change ((delta)C^sub p^)) corresponding to the transitions from N to MG (molten globule state) or MG to U (unfolded state), were summarized in the previous report (Nishii et al
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. Even after increasing the metal ion concentration to as high as 30 mM, the refolding yields remain unchanged
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