ࡱ >
\ p None B a = c @ = Z ?N*8 X" 1 Arial1 Arial1 Arial1 Arial1 Arial1 Arial1 Arial General ` M Table_2 - - Polymorphic structure1 Molecular mechanics (MM) energy (kcal/mol)+ Nonpolar solvation energy (kcal/mol)0 Electrostatic solvation energy (kcal/mol) Total energy (kcal/mol) co-pho "3 0 6 2 . 6 6 6 1 9 . 5 4
"1 8 2 . 8 4 3 3 . 8 9 "4 5 2 3 0 . 2 6 3 . 3 9 "4 8 4 7 5 . 7 co-phe "1 7 0 9 . 1 8 6 8 4 . 0 0
"1 8 4 . 4 7 3 5 . 0 6 "4 5 8 6 0 . 3 3 4 . 4 3 "4 7 7 5 4 . 0 aa-pho "9 7 0 . 4 2 6 8 4 . 1 1
"1 8 1 . 7 1 3 4 . 5 4 "4 6 1 2 1 . 5 6 0 . 5 6 "4 7 2 7 3 . 6 aa-phe "2 1 0 0 . 0 2 6 6 2 . 2 5
"1 8 6 . 5 7 3 5 . 2 8
"4 5 1 5 0 . 3 5 . 1 7 "4 7 4 3 6 . 9 co-apho "5 0 2 1 . 4 2 6 5 5 . 0 5
"1 8 8 . 2 8 3 4 . 3 5 "4 4 5 6 4 . 3 6 6 . 3 7 "4 9 7 7 4 . 0 co-aphe "5 3 3 8 . 7 7 6 8 7 . 6 9
"1 8 5 . 4 7 3 5 . 1 1 "4 4 9 1 3 . 9 4 8 . 4 8 "5 0 4 3 8 . 1 aa-apho "5 3 7 6 . 5 4 6 8 2 . 2 4
"1 8 5 . 6 5 3 5 . 4 4 "4 4 2 9 0 . 4 2 0 . 6 2 "4 9 8 5 2 . 6 aa-aphe "5 5 0 8 . 9 4 7 7 0 . 6 2 "1 8 0 . 7 1 8 3 5 . 8 3 "4 5 0 4 8 . 5 1 6 . 7 9 "5 0 7 3 8 . 2
d MbP?_ % * + &P &F