Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQTPEALTTEQFKQAIIDKGQYYHIYHPFHVMMYEGKATQQQIQAWVANRYYYQINIPLKDAAIMANCPDQRVRQEWIQRMIDQDGEYPDGGGREAWLRLAEAVGLSREQVISEELVLPGVRFAVDAYVNFARRASWREAASSSLTELFAPQIHQSRLESWPQHYPWIDDKGYEYFRSRLSQARRDVEHGLTITLDSFTTHEQQQRMLEILQFKLDILWSILDALTLAYVHNEAPYHSVTQERVWHKGLFK 3HLX Chain:D ((5-248)) -----DTLSPQAFEEALRAKGDFYHIHHPYHIAMHNGNATREQIQGWVANRFYYQTTIPLKDAAIMANCPDAQTRRKWVQRILDHDGSHGEDGGIEAWLRLGEAVGLSRDDLLSERHVLPGVRFAVDAYLNFARRACWQEAACSSLTELFAPQIHQSRLDSWPQHYPWIKEEGYFFFRSRLSQANRDVEHGLALAKAYCDSAEKQNRMLEILQFKLDILWSMLDAMTMAYALQRPPYHTVTDKAAWHTT---

General information: TITO was launched using: RESULT: Template: 3HLX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1014 -108278 -106.78 -443.76 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.91 3D Compatibility (PKB) : -106.78 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.562

(partial model without unconserved sides chains): PDB file : Tito_3HLX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HLX-query.scw PDB file : Tito_Scwrl_3HLX.pdb: