Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIYRLSMSLIANTTVVRGRFLDIQQTVSEPTDIPNQVRYLEDGVLISEHGKIKWFGAWEDAQQHLPAGVEVQHYPEQLIVPGFIDTHIHFPQTEMVGAYG---EQLLSWLNTYTFPTEIQFQDKTYASEIAQFFVQELLKHGTTTALVFCTVHPE--SVDALFEAAERVQMRLIAGKVLMDRNAPEALCDTPETAYSNTKALIEKWHGKG---RALYAITPRFAPTSTPEQLERAGQLKQEFPDVYVHTHLSENKDEIAWVKSLFPEQAGYLDVYQHYGLTGKRSVFAHCVHLEDEEWQCMHDTQSAIAFCPTSNLFLGSGLFPLKKTWEKQVKVGLGTDIGAGT-SFSLLQTVNEAYKVQQL--QGDKLSAYEALYHATLGGAKALDLQDQLGNFNIGKEADFVVLNLKPTALQELRQTKSKSVEDSLFALFTLGDDRNIEATYIYGNRAYQKETAK 3HPA Chain:B ((47-455)) --------------------------------------RELRDAGLYIEDNRIVAVGPSAELP---ETADEVLDLRGHLVIPGLVNTHHHMYQSLTRAVPAAQNAELFGWLTNL-YKIWAHL-TPEMIEVSTLTAMAELLQSGCTTSSDHLYIYPNGSRLDDSIGAAQRIGMRFHASRGAMS----------EPDILRDTQRLIETYHDEGRYAMLRVVVAPCSPFSVSRDLMRDAAVLAREY-GVSLHTHLAENVNDIAY---------TPAEYAEDLGWVGHDVWHAHCVQLDDAGIGLFARTGTGVAHCPCSNMRLASGIAPVKKMRLAGVPVGLGVDGSASNDGAQMVAEVRQALLLQRVGFGPDAMTAREALEIATLGGAKVLNRD-DIGALKPGMAADFAAFDLRQPLFA-G------ALHDPVAALVFCA-PSQTAYTVVNGKVVVREGRL-

General information: TITO was launched using: RESULT: Template: 3HPA.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 : 2301 -40816 -17.74 -108.84 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -17.74 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_3HPA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HPA-query.scw PDB file : Tito_Scwrl_3HPA.pdb: