Abstract
The net charges on various atoms of poly (l-alanine), polyglycine, poly (N-methyl-l-alanine) and poly (N-methylglycine) were computed using the MOLCAO method of Del Re forσ charges and the Hückel MO method forπ charges. The characteristic ratiosC ∞ were computed for all the above polypeptide chains, with different sets of parameters for the peptide unit. The calculated values ofC ∞ are found to be very sensitive to the input peptide geometry. The calculated value of 2·2 forC ∞ of poly (N-methylglycine) obtained with set-3 parameters (derived from a crystal structure containing prolyl residue) is closer to the experimental value of 1·8±0·2 than the value of 2·7 obtained with set 1 (Pauling-Corey parameters), suggesting that the peptide parameters of N-substituted aminoacids have close similarity to set 3 rather than to set 1. The calculated values ofC ∞ of the polypeptide chains show no correlation with the number of allowed conformations, suggesting that the ratio ofC ∞/C f need not always provide information about the flexibility or freedom of rotation of chain units.
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References
Berthod H and Pullman A 1965J. Chim. Phys. 62 942
Brant D A and Flory P J 1965J. Amer. Chem. Soc. 87 2788, 2791
Brant D A Miller W G and Flory P J 1967J. Mol. Biol. 23 47
Conti F and DeSantis P 1971Biopolymers 10 2581
Davies D R 1965 inProgress in Biophysics and Molecular Biology Vol. 15, ed Butler J A V and Huxley H E 189
Del Re G 1958J. Chem. Soc. 4031
Del Re G, Pullman B and Yonezawa T 1963Biochim. Biophys. Acta 75 153
Fessler J H and Ogston A G 1951Trans. Faraday Soc. 47 667
Flory P J 1969Statistical Mechanics of Chain Molecules, Interscience, New York
Fujita H, Teramoto A, Yamashita T, Okita K and Ikeda S 1966Biopolymers 4 781
Poland D and Scheraga H A 1967Biochemistry 6 3791
Pullman B and Pullman A 1963Quantum Biochemistry Interscience, New York
Ramachandran G N, Kolaskar A S, Ramakrishnan C and Sasisekharan V 1974Biochim. Biophys. Acta 359, 298
Ramachandran G N and Sasisekharan V 1968Advan. Protein Chem. 23 283
Ramachandran G N, Venkatachalam C M and Krimm S 1966Biophys. J. 6 849
Scott R A and Scheraga H A 1966J. Chem. Phys. 45 2091
Srinivasan A R and Rao V S R 1972Polym. Sci. A-210 693
Tanaka S and Nakajima A 1970Polym. J. 1 71
Tanaka S and Nakajima A 1971Polym. J. 2 717
Terbujevich M, Peggion E, Cosani A, D’Este G and Scoffone E 1967Eur. Polym. J. 3 681
Yathindra N and Rao V S R 1972Polym. Sci. A-210 1369
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Contribution No. 57 from the Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560012, INDIA.
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Srinivasan, A.R., Rao, V.S.R. Effect of variations in peptide parameters and charges on the unperturbed dimensions of polypeptide chains. Pramana - J. Phys 4, 95–103 (1975). https://doi.org/10.1007/BF02848040
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DOI: https://doi.org/10.1007/BF02848040