Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERPTISPEHLQEAAENLSTIRDFIRFGVSALRQYDAHLGQGTEDYFAESSALVLQTLSLEWSADSEILDAKLLPSEKAEFLSLLERRINERIPTSYLLNLAYFFNKPFYVDERVLIPRSPIAELSEQRFAPYCLDENGQMREALNNLPENTKPKTPQRILDMCTGSGCIAVALAYAYPDAEVDATDISKEALEVASINVEHHNKQYQVALLESDLFEKIP-AENQYDLIVSNPPYVDAEDMADLPEEFLHEPELALAAGQDGLDLVRKMLAQAADYLTEDG-LIVIEVGNSEWAMRQNFNTVDFNWLTFQKGGSGIFALTAEQCRRYRKLFEEQV 1SG9 Chain:B ((9-258)) ---------------GAERKIWSLIRDCSGKLEG--V-----TETSVLEVLLIVSRVLGIRKEDLFL-KDLGVSPTEEKRILELVEKR-ASGYPLHYILGEKEFMGLSFLVEEGVFVPRPETEELVEL-ALELIRK------------------YGIKTVADIGTGSGAIGVSVAKFS-DAIVFATDVSSKAVEIARKNAERHGVSDRFFVRKGEFLEPFKEKFASIEMILSNPPYVKSSA--HLPKDVLFEPPEALFGGEDGLDFYREFFG----RYDTSGKIVLMEIGEDQVEELKKI------------------------------------

General information: TITO was launched using: RESULT: Template: 1SG9.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 : 1190 -90492 -76.04 -364.89 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -76.04 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_1SG9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SG9-query.scw PDB file : Tito_Scwrl_1SG9.pdb: