Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTFLNKIHETATFLKEKGIAAPEFGLILGSGLGELAEEIENPVVVDYAEIPNWGRSTVVGHAGKLVYGELAGRKVLALQGRFHFYEGNPLEVVTFPVRVMKVLGCEGVIVTNAAGGIGFGPGTLMAISDHINMTGQNPLMGENLDDFGPRFPDMSRAYTPEYRATAHEVAKKLNIKLDEGVYIGVTGPTYETPAEIRSYKTLGADAVGMSTVPEVIVAAHSGLKVLGISCITNFAAGFQEELNHEEVVEVTERVKGDFKGLLKAILAEL 3LA8 Chain:A ((36-303)) -SLLKKIYETRDFLTAKGVQKPEFGLILGSGLGELAEEIENALVLNYADIPNWG---------KLIYGELAGRKVLALQ-RFHYYEG-SMELVTFPIRIMKALGCQGLIVTNAAGGIGFGPGTLMAISDHINLTGANPLMG-NLDDFGFRFPDMSNAYTADYREVAHQVADKIGIKLDEGVYIGVSGPSYETPAEIRAFKTLGADAVGMSTVPEVIVAVHSGLKVLGISAITNYAAGF---------VAVTQQIKEDFKGLVKAILVEL

General information: TITO was launched using: RESULT: Template: 3LA8.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 : 1394 -194390 -139.45 -787.00 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.94 3D Compatibility (PKB) : -139.45 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.600

(partial model without unconserved sides chains): PDB file : Tito_3LA8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LA8-query.scw PDB file : Tito_Scwrl_3LA8.pdb: