Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFNQLQIALGTLVRKEVRRFLRIWPQTLLPPAITMSLYFVIFGNLVGSRIGEMGGVSYMQFIVP---GLIMMAVITNSYANVSSSFFSVKFQKNIEELIMSPV--PLHIILWGYVIGGICRGVLVGAIVTAM-----SMFFTDLFIHNWFVTIYTVLITSVLFSLGGFIN--AVYAKSFD--------------------DISIIPTFVLTPL-----TYLGGVFYAISALGPFWQKL--SLINPIVYMVNAFRFGILGHSDVNVSFSLIIVTLCCA------------VLY---GIAYYLLARGSGMRE----- 4BVA Chain:A ((24-334)) ------KRAPAFLSAEEVQDHLR--SSSLLIPPLEAALANFS----KGPDGGVMQPVRTVVPVAKHRGFLGVMPAYSAAEDALTTKLVTFYESHQASVLLFDPSNGSLLAVMDGNVITAK-RTAAVSAIATKLLKPPGSDVLCILGAGVQAYSHYEIFTEQFSFKEVRMWNRTRENAEKFASTVQGDVRVCSSVQEAVTGADVIITVTMATEPILFGEWVKPGAHINAVGASRPDWRELDDELMRQAVLYVDSREAALKESGDVLLSGADIFAELGEVISGAKPAHCEKTTVFKSLGMAVEDLVAAKLVYDSWSSG

General information: TITO was launched using: RESULT: Template: 4BVA.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 : 1152 -89546 -77.73 -366.99 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -77.73 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.165

(partial model without unconserved sides chains): PDB file : Tito_4BVA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BVA-query.scw PDB file : Tito_Scwrl_4BVA.pdb: