Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------MWEQLYDPFGNEYVSALVALTPILFFLLALTVLKMKGILAAFLTLAVSFFVSVWAFHMPVEKAI---------SSVLLGIGSGLWPIGYIVLM----AVWLYKIAVKTGKFTIIRSSIAGISPDQRLQLLLIG-----------FCFNAF-LEGAAGFGVPIAIS-------------AALLVELGFKPLKAAALC-------------------LIANAASGAFGAIGIPVITGA-------------QIGDLSALELSRTLMWT--------------------LPMISFLIPFLLVFLLDRMKGIKQT--WPALLVVSGGYTAVQT-LTMAVLGPELANILAALFSMGGLALFLRKWQPKEIYREEGAGDAGEKKAYRAADIAKAWSPFYILTAAITIWSLPAFKALFQEGGLLYQ--STLLFKM---PFLHQQIMKMPPIAPSAMPLDAVFKVDLLSATGTAILAAVIVTGLFSKKFSSRDAFASLKETGKELWVPI----------------------MTICFVMGFANLANFA-GLSSSIGLALAKTGDLFPFVSPVLGWIGVFITGSVVSNNALFG------------HLQVVTGAQIGA-GSDLLLAANTAGGVMAKLVSPQSIAIAAAAVGQTGKESKLFKRTVAYSLI---------LLLIICIWTFILARLGV------ 4J5T Chain:A ((1-811)) AEFMEEYQKFTNESLLWAPYRSNCYFGMRPRYVHESPLIMGIMWFNSLSQDGLHSLRHFATPQDKLQKYGWEVYDPRIGGKEVFIDEKNNLNLTVYFVKSKNGENWSVRVQGEPLDPKRPSTASVVLYFSQNGGEIDGKSSLAMIGHDGPNDMKFFGYSKELGEYHLTVKDNFGHYFKNPEYETMEVAPGSDCSKTSHLSLQIPDKEVWKARDVFQSLVSDSIRDILER-PADLIPSVLTIRNLYNFNPGNFHYIQKTFDLTKKDGFQFDITYNKLGTTQSISTREQVTELITWSLNEINARFDKQFSFGEGPDSIESVEVKRRFALETLSNLLGGIGYFYGNQLIDRETEFDESQFTEIKLLNAKEEGPFELFTSVPSRGFFPRGFYWDEGFHLLQIMEYDFDLAFEILASWFEMIEDDSGWIAREIILGNEARSKVPQEFQVQNPNIANPPTLLLAFS--EMLSRAIENIGDFMTNNLEANPGLLTEYAKKIYPKLLKHYNWFRKSQTGLIDEYEEILEDEGIWDKIHKNEVYRWVGRTFTHCLPSGMDDYPRAQPPDVAELNVDALAWVGVMTRSMKQIAHVL-KLTQDEQRYAQIEQEVVENLDLLHWSENDNCYCDISIDPEDDEIREFVCH-EGYVSVLPFALKLIPKNSPKLEKVVALMSDPEKIFSDYGLL---SLSRQDDYFGKDENYWRGPIWMNINYLCLDAMRYYYPEVILDVAGEASNAKKLYQSLKINLSNNIYKVWEEQGYCYE---NYSPIDGHGTGAEHFTGWTALVVNILGRFRSHHHHHH

General information: TITO was launched using: RESULT: Template: 4J5T.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2232 -296739 -132.95 -559.88 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -132.95 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.135

(partial model without unconserved sides chains): PDB file : Tito_4J5T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4J5T-query.scw PDB file : Tito_Scwrl_4J5T.pdb: