#An alternative ASP database classifies atoms by element and uses solvation model #of Wesson and Eisenberg [5]: # Key ID Radius ASP Type Comment HYDROG BB 0.00 000.0 H_B_B # amid/ne H (backbone) CARBON BB 2.00 001.2 C_A_B # aliphatic C (backbone) CARBON BB 1.50 001.2 C_B_B # carbon C (backbone) NITROG BB 1.50 -011.6 N_B_B # amide -NH- (backbone) OXYGEN BB 1.40 -011.6 O_B_B # carboxyl O (backbone) HYDROG SC 0.00 000.0 H_ALI # aliphatic H HYDROG SC 0.00 000.0 H_ARO # aromatic H HYDROG SC 0.00 000.0 H_AMI # amid/ne H HYDROG SC 0.00 000.0 H_SUL # sulfur H HYDROG SC 0.00 000.0 H_OXY # hydroxyl H CARBON SC 2.00 001.2 C_ALI # aliphatic -CH2, -CH3 CARBON SC 1.50 001.2 C_BYL # carbon/xyl C CARBON SC 1.85 001.2 C_ARO # aromatic =CH-, =CC-, =CN- or =CO- NITROG SC 1.50 -011.6 N_AMI # amide -NH- -NH2 NITROG SC 1.50 -018.6 N_AMO # amine -NH3 OXYGEN SC 1.40 -011.6 O_BYL # carbonyl O OXYGEN SC 1.40 -017.5 O_BYX # carboxyl O OXYGEN SC 1.40 -011.6 O_HYD # hydroxyl O SULFUR SC 1.85 -001.8 S_OXY # sulfur and thiol S of S-S bridge SULFUR SC 1.85 -001.8 S_RED # sulfur and thiol SH or S-CH3 UNKNOW SC 0.00 000.0 PSEUD # pseudo atoms in NMR structures UNKNOW SC 0.00 000.0 UNKN_ # unknown atom type; do not change! #Atomic solvation parameters are in dacal/mol/angstrom2. #Wesson, L; Eisenberg, D. (1992) Protein Sci., 1, 227.