Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAPATAATPPIASGSGNGTISGNQEVNPRARDPHSSQSHHAEHAGGSPRRSKSCVSMHASTAGGTAHRQVIGNYELGRVLATGDFDCRTRLCRHITTGVRYVVRVYDKRVLAEAQWMWNRVAESIRVQRTLPKNKYVLEMVECFES------NTSVYMLMHLFPSINITKLFTDSAARAKLLSCLQAMSRANAHTSAAATSNGSLTTEPEKTAKGEPHRKPSHVHALPATDPTSAPKSVLSRGLKTSMRTPSASAAESQPSEHGTEETADANEFSHRGGGKQESTPSTAASTMGGASTSPMAVASVNAFLGTAVPSHVPLSLIRDLFEQAVKGVSHLHQYNVAHTGIAPDHLLVGA-NGLLRISNMVSCCFCAQGERLHELRGTRHTVAPEVLRGESYDPYLADAWALGVVLYFMLNRGRYPHDGAST---LRHILHG-----------------R----------VR-PSRPGLPPVALDLVSRLLQGSPEERLPVDAILTHPFFLAPLPTIAEEAAAEAAELQAQHVRHRLTTGAAVHGGHSVVSDRDDLNGRRLRSKEKAVGAGRQEASSPHWESLVTFGSGDSITGRDEVDSSGLNPQHNGDDDASAAEDGSRRSCRDTVCPPRAGLPTHQPSAASRSPSASMKRAHLAASSLARTSPCQSVAGSVSASTRPVWCPHLAPTLDALEDLAGRVIQYHYRQMKRRQQYRAETRTLVARSQSMRRAKVEEEGIGGQQQPLLSLVPAVVVLSRPPSLDLVPSSAGTVTPKRDEVLHRQRQRQQQPSDLYLKRKPVMAANVLDAAAGSQSPSSARRRASTNNSVDTGGPLEDEPLSHWHKSGTASPASTIQSVLVTGANSVVIGTRAGSPGSLDRDDDGTESSLISSLDGALRANVAEGTNAVASLDTTPQESLKLPVPLPLNQRRPGSSVRACNTPANSVFIAPPPLRPSSNSSVLPTLASLHGLGSSVGRFADRARVGEGMMVKDDERCPLCHREPYMTRAIGVRPYGGTSYVYADGRFTKVSSV 1J1B Chain:B ((49-343)) -------------------------------------------------------------------DRPQEVSYTDTKVIGNGSFG-VVYQAKLCDSGELVAIKKVLQDK--------RFKNRELQIMRKL-DHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHY----------------------------------------------------------------S------R-------------------------------------------------------------------AKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLL-GQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDEL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1J1B.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1132 -48862 -43.16 -190.12 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -43.16 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_1J1B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1J1B-query.scw PDB file : Tito_Scwrl_1J1B.pdb: