Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERSLSMELVRVTEAAALASARWMGRGKKDEADEAATSAMRDVFDTVPMKGTVVIGEGEMDEAPMLYIGEKLGNGYGPRVDVAVDPLEGTNILASGGWNALTVIAVADHGTLLNAPDMYMQKIAVGPEAVGCIDIEAPVIDNLKAVAKAKNKDVEDVVATILNRERHAKIISELREAGARIKLINDGDVAGAINTAFDHTGVDILFGSGGAPEGVLSAVALKALGGEIIGKLLPQSE-----------EEITRCHKMGLDLSKVLRMEDLVKGDDAIFAATGVTDGELLKGVQFKGSVGTTESLVIRAKSGTVRFVDGRHSLKKKPNLVIRP 3BIG Chain:A ((3-326)) MRRELAIEFSRVTESAALAGYKWLGRGDKNTADGAAVNAMRIMLNQVNIDGTIVIGEGEIAEAPMLYIGEKVGTGRGDAVDIAVDPIEGTRMTAMGQANALAVLAVGDKGCFLNAPDMYMEKLIVGPGAKGTIDLNLPLADNLRNVAAALGKPLSELTVTILAKPRHDAVIAEMQQLGVRVFAIPDGDVAASILTCMPDSEVDVLYGIGGAPEGVVSAAVIRALDGDMNGRLLARHDVKNEENRRIGEQELARCKAMGIEAGKVLRLGDMARSDNVIFSATGITKGDLLEGISRKGNIATTETLLIRGKS-TIRRIQSIHYL----------

General information: TITO was launched using: RESULT: Template: 3BIG.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 : 1941 -130797 -67.39 -421.92 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -67.39 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_3BIG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BIG-query.scw PDB file : Tito_Scwrl_3BIG.pdb: