Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQTRALMEGAILISLFAIITLLVVYVPVIGTILLFALPLPMILYTIRHGLKLGIWMGAVSLPVVFIVGSF-------NGLIVAFMSACAGIAMGHFFKRKEPGHAIISGALIYMLSIVFYFVISIQFLGINIIDEAMTQYRQSLDIVETVAKQSGNAGQFEKQLKLMEEQLGIVQYLFPTAIVMVGVIFSFLSYLIAKPLLRRFSPDIPNLKPFRELKFPQSVVVLYLIIVMLSFLPLEKGQMLYSIALNGEFILGFLIFIQGLSFIFFYCHKKQYPKAAAVIAVILGFVHPVFMAAIRILGVLDMGFHIRNKVK 3RLB Chain:A ((17-112)) --NVRLLTEIAFMAALAFIISLIPN-TVYG-WIIVEIACIPILLLSLRRGLTAGLVGGLIWGILSMITGHAYILSLSQAFLEYLVAPVSLGI-AGLFRQKT-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RLB.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 : 310 -54158 -174.70 -608.52 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.48 3D Compatibility (PKB) : -174.70 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.207

(partial model without unconserved sides chains): PDB file : Tito_3RLB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RLB-query.scw PDB file : Tito_Scwrl_3RLB.pdb: