Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYDTIVIGAGQAGISIGYYLKQSDQKFIILDKSHEVGESWKDRYDSLVLFTSRMYSSLPGMHLEGEKHGFPSKNEIVAYLKKYVKKFEIPIQLRTEVISVLKI-KNYFLI-KTNREEYQTKNLVIATGPFH-TPN-IPSISKDLSDNINQLHSSQYKNSKQLAYGNVLVVGGGNSGAQIAVELSKE-RVTYLACSNKLVYFPLMIGKRSIFWWFDKLGVLHASHTSIVGKFIQKKGDPVFGHELKHAIKQKEIILK--KRVIAAKQ-------NEIIFKDSS--TLEVNNIIWATGFRNPLCWINIK-GVLDQEGRIIHH-RGVSPVEGLYFIGLPWQHKRGSALLQGVGNDAEYIVKQMNGE 3AB1 Chain:A ((14-324)) MRDLTIIGGGPTGIFAAFQCGMNNISCRIIESMPQLGGQLAALYPEKHIYD------VAGFP-------EVPAIDLVESLWAQAERYNPDVVLNETVTKYTKLDDGTFETRTNTGNVYRSRAVLIAAGLGAFEPRKLPQLGNIDHLTGSSVYY-AVKSVEDFKGKRVVIVGGGDSALDWTVGLIKNAASVTLVHRGH-EFQGHGK----TAHEV------------------------------ERARANGTIDVYLETEVASIEESNGVLTRVHLRSSDGSKWTVEADRLLILIGFKSNLGPLARWDLELY-ENALVVDSHMKTSVDGLYAAGDIAYYPGKLKIIQTGLSEATMAVRHSL--

General information: TITO was launched using: RESULT: Template: 3AB1.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 : 1513 -21789 -14.40 -74.36 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -14.40 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_3AB1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AB1-query.scw PDB file : Tito_Scwrl_3AB1.pdb: