Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQTPEALTTEQFKQAIIDKGQYYHIYHPFHVMMYEGKATQQQIQAWVANRYYYQINIPLKDAAIMANCPDQRVRQEWIQRMIDQDGEYPDGGGREAWLRLAEAVGLSREQVISEELVLPGVRFAVDAYVNFARRASWREAASSSLTELFAPQIHQSRLESWPQHYPWIDDKGYEYFRSRLSQARRDVEHGLTITLDSFTTHEQQQRMLEILQFKLDILWSILDALTLAYVHNEAPYHSVTQERVWHKGLFK 3HML Chain:A ((5-246)) -----DTLSPQAFEEALRAKGDFYHIHHPYHIAMHNGNATREQIQGWVANRFYYQTTIPLKDAAIMANCPDAQTRRKWVQRILDHDGS---DGGIEAWLRLGEAVGLSRDDLLSERHVLPGVRFAVDAYLNFARRACWQEAACSSLTELFAP--------SWPQHYPWIKEEGYFYFRSRLS----DVEHGLALAKAYCDSAEKQNRMLEILQFKLDILWSMLDAMTMAYALQRPPYHTVTDKAAWH-----

General information: TITO was launched using: RESULT: Template: 3HML.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 : 967 -117570 -121.58 -517.93 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -121.58 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.572

(partial model without unconserved sides chains): PDB file : Tito_3HML.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HML-query.scw PDB file : Tito_Scwrl_3HML.pdb: