Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKGIIRFLLVSFVLFFALSTGITGVQAAPASSKTSADLEKAEVFGDIDMTTSKKTTVIVELKEKSLAEAKEAGESQSKSKLKT---ARTKAKNKAIKAVKNGKVNREYEQVFSGFSMKLPANEIPKLLAVKDVKAVYPNVTYKTDNMKDKDVTISEDAVSPQMDDSAPYIGANDAWDLGYTGKGIKVAIIDTGVEYNHPDLKKNFGQYKGYDFVDNDYDPKETPTGDPRGEATDHGTHVAGTVAANGTI-----KGVAPDATLLAYRVLGPGGSGTTENVIAGVERAV----QDGADVMNLSLGNSLNNP-DWATSTALDWAMSEGVVAVTSNGNSGPNGWTVGSPGTSREAISVGATQLPLNEYAVTFGSYSSAKVMGYNKEDDVKALNNKEVELVEAGIGEAKDFEGKDLTGKVAVVKRGSIAFVDKADNAKKAGAIGMVVYNNLSGEIEANVPGMSVPTIKLSLEDGEKLVSALKAGETKTTFKLTVSKALGEQVADFSSRGPVMDTWMIKPDISAPGVNIVSTIPTHDPDHPY---GYGSKQGTSMASPHIAGAVAVIKQAKPKWSVEQIKAAIMNTAVTLKDSDGEVYPHNAQGAGSARIMNAIKADSLVSPGSYSYGTFLKENGNETKNETFTIENQSSIRKSYT---------LEYSFNGSGISTS------GTSRVVIPAHQTGKATAKVKVNTKKTKAGTYEGTVIVREGGKTVAKVPTLLIVKEPDYPRVTSVSVSEGSVQGTYQIETYLPAGAEELAFLVYDSNLDFAGQAGIYKNQDKGYQYFDWDGTINGGTKLPAGEYYLLAYAANKGKSSQVLTEEPFTVE 3AFG Chain:A ((4-522)) ----------------------------------------------KPAVRNVSQQKNYGLLTPGLFKKVQRMSWDQEVSTIIMFDNQADKEKAVEILDFLGAKIKYNYHII-PALAVKIKVKDLLIIAGLMDTGNAQL----------SGVQFIQEDY-----VVKVAQVMATNMWNLGYDGSGITIGIIDTGIDASHPDLQGKVIGWVDFV-------NGKTTPYDDNG----HGTHVASIAAGTGAASNGKYKGMAPGAKLVGIKVLNGQGSGSISDIINGVDWAVQNKDKYGIKVINLSLGSSQSSDGTDSLSQAVNNAWDAGLVVVVAAGNSGPNKYTVGSPAAASKVITVGAVDKY--------------------------------------------------------------------------------------------------------------------------------------DVITDFSSRGPTADN-RLKPEVVAPGNWIIAARASGTSMGQPINDYYTAAPGTAMATPHVAGIAALLLQAHPSWTPDKVKTALIETADIVKPDE---IADIAYGAGRVNAYKAAYYDNYAKLTFTGYV-----SNKGSQSHQFTISGAGFVTATLYWDNSGSDLDLYLYDPNGNQVDYSYTAYYGFEKVGYYNPTAGTWTIKVVSYSGS---ANYQVDVVSDGSLGQP-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AFG.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 : 3185 71487 22.44 150.82 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 22.44 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.368

(partial model without unconserved sides chains): PDB file : Tito_3AFG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AFG-query.scw PDB file : Tito_Scwrl_3AFG.pdb: