Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFKLSKEKIELGLSRLSPARRIFLSFALVILLGSLLLSLPFVQVESSRATYFDHLFTAVSAVCVTGLSTLPVAHTYNIWGQIICLLLIQIGGLGLMTFIGVFYIQSKQKLSLRSRATIQDSFSYGETRSLRKFVYSIFLTTFLVESLGAILLSFRLIPQLGWGRGLFSSIFLAISAFCNAGFDNLGSTSLFAFQTDLLVNLVIAGLIITGGLGFMVWFDLAGHVGRKKKGRLHFHTKLVLLLTIGLLLFGTATTLFLEWNNAGTIGNLPVADKVLVSFFQTVTMRTAGFSTI---DYTQAHPVTLLIYILQMFLGGAPGGTAGGLKITTFFVLLVFARSELLGLPHANVARRTIAPRTVQKSFSVFIIFLMSFLIGLI---LLGITAKGNPPFIHLVFETISALSTVGVTANLTPDLGKLALSVIMPLMFM--GRIGPLTLFVSLADYHPEKKDMIHYMKADISIG------------------ 5A1S Chain:A ((16-448)) --SDLLRFKI-FGMP------LPLYAFALITLLLSHFYN----AIPTDLVGGFALMFVMGAIFGEIGKR-LPIFNKY-------------IGGAPVMIFLVAAYFVYAGIFTQKEIDAISNVMDK-----------SNFLNLFIAVLITGAILSVNRKLLLKSLLGYIPTILAGIVGASLFGIVIGLCFGIPVDRIMMLYVLPIMG----GGNGAGAVPLSEIYHSVTGRSREEYYSTAIAILTIANIF---AIIFAALLDMVGKKYTWLSGEGELVRKASFKTEDDEKAGQITHRETAVGMVLSTTCFLLAYVVAKKILPSIGGVSIH-YFAWMVLIVAALNASGLCSPEIKAGAKR-LSDFFSKQLLWVLMVGVGVCYTDLQEIIDALTFANVVIAAIIVVGAVVGAAIGGWLIGFYPIESSITAGLCMANRGGSGDLEVLSAC-----NRMNLISYAQISSRLGGGIVLVIASIVFSMMVLE

General information: TITO was launched using: RESULT: Template: 5A1S.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 : 2079 -336533 -161.87 -826.86 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -161.87 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.247

(partial model without unconserved sides chains): PDB file : Tito_5A1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A1S-query.scw PDB file : Tito_Scwrl_5A1S.pdb: