Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIFSLALISLFAVILLAACGSKGSNGEASKESKKDTLAAIKDNDKIVFGVKTDTRLFGLKNPSSGEIEGFDIDIAKQIAKDILGDEKKAQFKEVTSKTRIPMLQNGDIDAIVATMTITEERKKEVDFSDVYFEAGQSLLVKKGSKIKSVENLGKGSKVLAVKGSTSSQNIREKAPEASVLEFENYAEAFTALKSGQGDALTTDNAI-LYGMADENKN-YQLTGKPFTDEPYGIAVKKGQSALAKEINASLKKMKSDGRYDEIYKKWIKEDPAE 2PYY Chain:A ((15-223)) ----------------------------------------------------------FVLSN-----LSGFSIDLWRSIATQIGIESKLIEYSSVPE--LISAIKDNKVNLGIAAISITAEREQNFDFSLPIFASGLQIMVRN-GDIRSIDDL-PGKVVATTAGSTAATYLREH--HISVLEVPKIEEAYKALQTKKADAVVFDAPVLLFYAANEGKGKVEIVGSILREESYGI-ILPNNSPYRKPINQALLNLKENGTYQSLYDKWF--DP--

General information: TITO was launched using: RESULT: Template: 2PYY.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 : 980 -41779 -42.63 -209.94 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -42.63 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.506

(partial model without unconserved sides chains): PDB file : Tito_2PYY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PYY-query.scw PDB file : Tito_Scwrl_2PYY.pdb: