Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHFKNYQISHDILRAL-EGLGYTEPTKVQQSVIPAALERKDLVVKSQTGSGKTASFGIPLCELANWDE------NKPQALILTPTRELAVQVKEDITNIGRF-KRIKATAVFGKSSFDKQKAELKQKSHIVVGTPGRVLDHIEKG---TLPLDRLSYLVIDEADEMLNMGFIEQVEAIIKHLPTERTTMLFSATLPQDIEKLSRQYMQNPEHIEVKAAGLTTRNIEHAVIQVRE-ENKFSLLKDVLMT----------ENPDSCIIFCRTKEHVNQLTDELDDLGYPCDKIHGGMIQEDRFDVMNEFKRGEYRYLVATDVAARGIDIENISLVINYDLPLEKESYVHRTGRTGRAGNKGKAISFVTAFEKRFLADIEEYIGFEIQKIEAPSQEEVARKKPEFLAKLNDRPESKKDKSEELNKDIMKLYFNGGKKKKIRAVDFVGTIAKIDGVSADDIGIITIMDNASYVEILNGKGPHVLKVMKNTTVKGKQLKVNKANK 4LJY Chain:A ((50-437)) -TKWSQLGLSTDTMVLITEKLHFGSLTPIQSQALPAIMSGRDVIGISKTGSGKTISYLLPLLRQVKAQRPLSKHETGPMGLILAPTRELALQIHEEVTKFTEADTSIRSVCCTGGSEMKKQITDLKRGTEIVVATPGRFIDILTLNDGKLLSTKRITFVVMDEADRLFDLGFEPQITQIMKTVRPDKQCVLFSATFPNKLRSFAVRVLHSPISITINSKGMVNENVKQKFRICHSEDEKFDNLVQLIHERSEFFDEVQS--DAKAIIFVSSQNICDFISKKLLNAGIVTCAIHAGKPYQERLMNLEKFKREKNSILLCTEVLSRGLNVPEVSLVIIYNAVKTFAQYVHTTGRTARGSRSGTAITLLLHDELSGAYILSK--------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LJY.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 : 1686 30924 18.34 87.36 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 18.34 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.614

(partial model without unconserved sides chains): PDB file : Tito_4LJY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LJY-query.scw PDB file : Tito_Scwrl_4LJY.pdb: