##### HYDROPHOBIC # PROTEIN # hfprot = all S or C that are not conneced with polar atoms define hfa ala.cb define hfr arg.cb, arg.cg define hfnd asn.cb, asp.cb define hfc cys.cb, cys.sg define hfqe gln.cb, gln.cg, glu.cb, glu.cg define hfh his.cb define hfi ile.cb, ile.cg1, ile.cg2, ile.cd1 define hfl leu.cb, leu.cg, leu.cd1, leu.cd2 define hfk lys.cb, lys.cg, lys.cd define hfm met.cb, met.cg, met.sd, met.ce define hff phe.cb, phe.cg, phe.cd2, phe.ce2, phe.cz, phe.ce1, phe.cd1 define hfp pro.cb, pro.cg define hft thr.cg2 define hfw trp.cb, trp.cg, trp.cd2, trp.ce3, trp.cz3, trp.ch2, trp.cz2 define hfy tyr.cb, tyr.cg, tyr.cd2, tyr.ce2, tyr.ce1, tyr.cd1 define hfv val.cb, val.cg1, val.cg2 define hfailmv hfa, hfi, hfl, hfv, hfm define hfrk hfr, hfk define hfndqe hfnd, hfqe define hffywh hff, hfy, hfw, hfh define hfcp hfc, hfp define hfprot hfailmv, hfrk, hfndqe, hffywh, hfcp # DNA define hfmjg t.c5m,t.c6,c.c5,c.c6,g.c5,g.c8,a.c5,a.c8 define hfall hfprot,hfmjg ##### HBONDS # PROTEIN define hbnegative asp.od1, asp.od2, glu.oe1, glu.oe2 define hbpositive arg.ne, arg.nh1, arg.nh2, lys.nz define haprot hbnegative, asn.od1, gln.oe1, *.o define hdprot hbpositive, asn.nd2, gln.ne2, trp.ne1, cys.sg, *.n define hbdaprot ser.og, thr.og1, tyr.oh, his.nd1, his.ne2 define hbprot hdprot,haprot,hdaprot #define hdprot *.n,arg.ne, arg.nh1, arg.nh2, asn.nd2,cys.sg,gln.ne2,trp.ne1,tyr.oh,lys.nz #define haprot *.o,asn.od1,gln.oe1 #define hdaprot arg.nh1,arg.nh2,asp.od1,asp.od2,glu.oe1,glu.oe2,his.nd1,his.ne2,ser.og,thr.og1 # DNA define hdmjg c.n4,a.n6 define hamjg t.o4,g.o6,g.n7,a.n7 define hdmig g.n2 define hamig a.n3,g.n3,c.o2,t.o2 define hadnabb *.o1p,*.o2p define hddna hdmjg,hdmig define hadna hamjg,hamig,hadnabb define hbdna hddna, hadna # define hbmjg hdmjg,hamjg define hbmig hdmig,hamig define hbdnabb hadnabb define hdall hdprot,hdaprot,hddna define haall haprot,hdaprot,hadna define hball hdall,haall