Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MECSMNLADRDGFIWQDGQLIDWRDAKIHVLTHTLHYSMGVFEGVRAYETPKGTAIFRLQDHTKRLLNSAKIYQMKVPYDQAALEQAQIDVVRENKLAS-CYLRPLIWIGSEKLGIAATNNTIHAAVAAWAWGAYLGDEAMAKGIRVKTSSFTHHHPNVTMCKAKASGNYTLSILAHQEVAHSGYDEAMLMDPQGYVCQGSGENVFLIKDGVLHTPDIAGGALDGITRQTVMTIAKDLGYEVVERRITRDEFYIADEAFFTGTAAEVTPIREYDDRQIGAGCRGPITTEIQKTFFDAVQGKKPKYEHWLTYVK 5CE8 Chain:B ((15-306)) -------------VWLDGRLVDEEEAKVTVLSPSLNYGFGVFEGIRAYWNGENLYVFRLRDHMERLLRSAKIIGLDVPYTAEELSKAVVETVRANGFKEDLYIRPVAYISKPQISLDVRGLQASVAIAAIPFGKYLKVE----GVRAAVVSWRRVHTSMMPVMAKATGIYLNSIMAAVEARARGYDEAIMLNAEGKVVEGSGENIFIVRRGVLMTPPLEDGILEGITRETVISIAGDLGIPLLEKSITREELYAADEAFFVGTAAEITPIIEIDGRVL---QRGPITQKIAETYRRIVLGKEEKYLPWLTPV-

General information: TITO was launched using: RESULT: Template: 5CE8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1617 -98191 -60.72 -337.43 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -60.72 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_5CE8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CE8-query.scw PDB file : Tito_Scwrl_5CE8.pdb: