Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRNRWWIILLLFLVFLPKTSFAHAYIVKSSPGENSELKSAPAQVEIEFNEPVEEG---FHYIKVYNSNGDRVDTDKTEIKKDNHHIMTVKLKKNLPKD-VYRAEWN--AVSADGHPVSGVIPFSIGKADGGFSSQKAADSALNPGTAADRAILYTALSLFIGTVFFHLFWYKGKSEQLVKRTRRILTGSIAALGLALLLQLPIQTKANAGGGWGSAFQPGYIRETLFETAGGSIWIIQAALFVLLALSVIPAIRKNRFSSFGYWTAPLIFFFGLLLAKAFTGHAAVVEEKTVGILMDFLHLTSASIWVGGIAALVLLLSKEWRQPDKTLAWETVRRFSPWALTAVGVILFSGLLNGFFIIRSMDSLFHTAYGQALLVKSGLFVFMLVLGAIHFLLTRKQRRTGISRTLKAEWAIGIAVLITAAVFTSLPSPPEPAPEPFYQTKAIENGQSVSLSISPNQPGKNVFELRVTDHNGDPVKNIQQITLTVYKTGLSGSENKSTFTLKEKTKGVFQDQNLSINEKGNWKIKVHGLTGDFNEINIMFTKTN 4ZJG Chain:A ((43-136)) ----------------------------------------GAATLVLTFSIPLDPDQDFSRVIHVVDKKSGKVD-GAWEL-SDNLKELRLR---HLEPKRDLIVTIGKEVKALNNATFSKDYEKTITTRDIQ-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZJG.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 : 281 -30261 -107.69 -373.59 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.48 3D Compatibility (PKB) : -107.69 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.48 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_4ZJG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZJG-query.scw PDB file : Tito_Scwrl_4ZJG.pdb: