Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLDVHKDIKKIFHEEQVLAEAAARYGFSKDQVRFL-ADA--ENYVYECMKDNQPYILKITHTIRRSSDYMMGEMEWLRHLAIGGIS-VAKPLPSLNGKDVEAVPDGNGGSFLLRVYEKAPGQKVDESDWNETLFYELGRYTGSMHSLTKSYKLSNP---AFKRQEWDEEEQLKLR----------------KYVPEDQIKVFQQADSLMNELR-RLPKSQDNYGLVHADLHHGNFNWDH-GKITAFDFDDIGYNWFVNDISILLYNVLWYPVVPYDDKAAFTEEFMTHFMKGYWEENELDPAWLMIIPDFLRLRHMLIYGLLHQMFDLNTIGEEEKEMLAGFRRDIENGTPITAFDFSALV 3I1A Chain:A ((5-294)) ----------PIQAQQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGY---H--DEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQL-----KHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQ-NSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGN---------VWNKPHEIQYFYEGYGEIN-VDK---TILSYYRHERIVEDIAVYGQ-------------------------------------

General information: TITO was launched using: RESULT: Template: 3I1A.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 : 1200 -130763 -108.97 -493.44 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -108.97 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.356

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I1A-query.scw PDB file : Tito_Scwrl_3I1A.pdb: