Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQTLVTKGDLNELFRSHLEKAINTLLRTELTAFLDYEKYDRTGFNSGNSRNGSYFRSIKTEYGELTLEIPRDRNGEFKQQTLPAYKRTNDTLETTIIHLFEKGVTMSEIADLIEKMYGHHYTPQTMSNMTKVLTEEVNAFKSRALNDKYVAIFMDATYIPLKRQTVSKEAIYIAIGIREDGTKEVLSYAIAPTESTYVWNELLQDINSRGVQEVLLFITDGLKGMKDTIHQIYPKAKYQHCCIHVSRNIAHKVRVKDRKEICDDFKAVYQANSKEEANTFLSGMIEKWKKNYPKVTQSLIENQDLLTFYDFPPSIRRTIYSTNLIESFNKQIKRYSRRKEQFQNEESLERFLVSIFDTYNQKFLNRSHKGF--QQVTDTLVSMFTE 4YDD Chain:B ((5-333)) MKAPRRQ----LTYVTDLNKCIGCQ---------TCTVACKKLWTTGPGQDFMYWRNVETAPGLGYPRNWQTKGGGYKNGELQKGKIPP-------MIDYGIPFEFDYAGRLFEGKPGRVRPSPTPRSAPN-WDEDQGAGEYPNNSFFYLPRMCNHCTKPACLEACPNEAIYKR---EQDGIVVI------------------HQDKCKGAQACVQSCP-------------YAKPYFNPLTNKANKCIGCFPRIEQGVAPACVAQCVGRAMHVGFVDDVNSSVYKLIKQYKVALPLHPEFGTEPNVFYV-PPVLGPRIEMANGEPSTDPKIPLAQLEGLFGKQVRDVLAILQSEREKKMKGLASDLMDVLIGRRSTDMMISPLT-

General information: TITO was launched using: RESULT: Template: 4YDD.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 : 1739 -22526 -12.95 -68.89 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -12.95 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.091

(partial model without unconserved sides chains): PDB file : Tito_4YDD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YDD-query.scw PDB file : Tito_Scwrl_4YDD.pdb: