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Table1. Conformational search with various force fieldsPeptide123456Global MinimumBy MacroModel MCMM Conformational SearchAMBER* MMFF OPLS3 10-helix random coil random coil0(kcal/mol)3-21G by Spartan+2.61 +14.24(P)-3 10-helix random coil random coil0(kcal/mol)3-21G by Spartan+14.09 +16.83(M)-α-helix (M)-α,3 10-helix (M)-α-helix0(kcal/mol)3-21G by Spartan+13.52 +9.32(P)-3 10-helix (P)-α,3 10-helix (M)-α-helix0(M:+1.14)3-21G by Spartan+14.28 +20.67(M)-3 10-helix (M)-α-helix random coil0(kcal/mol)3-21G by Spartan+20.65 +20.96(P)-3 10-helix (P)-α-helix (P)-α-helix0(kcal/mol)3-21G by Spartan+20.32 +7.62X-ray3 10-helix(P)-3 10-helix(M)-α-helix(P),(M)-3 10-helix(M)-3 10-helix(P)- 3 10-helixAcknowledgmentsThis work was supported in part by the Budget for Nuclear Research of the Ministry of Education,Culture, Sports, Science and Technology, based on the screening and counseling by the Atomic EnergyCommission, by a Grant-in-Aid for Scientific Research (C) from the Japan Society for the Promotionof Science and by Health and Labour Science Research Grant from the Ministry of Health, Labour andWelfare of Japan.References1. Hakamata, W., et al. Bioorg. Med. Chem. Lett. 18, 120-123 (2008).2. Kurihara, M., et al. Bioorg. Med. Chem. Lett. 14, 4131-4134 (2004).3. Tanaka, M., et al. Angew. Chem. Int. Ed. 43, 5360-5363 (2004).4. Tanaka, M., et al. J. Am. Chem. Soc. 127, 11570-11571 (2005).5. Demizu, Y., et al. Chem. Pharm. Bull. 55, 840-842 (2007).6. Nagano, M., et al. Org. Lett. 11, 1135-1137 (2009).7. Demizu, Y., et al. J. Pept. Sci. 16, 153-158 (2010).8. Oba, M., et al. Tetrahedron 66, 2293-2296 (2010).9. Demizu, Y., et al. J. Org. Chem. 75, 5234-5239 (2010).115