Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDNSKTRVVVGMSGGVDSSVTALLLKEQGYDVIGIFMKNWDDTDENGVCTATEDYKDVAKVAAQIGIPYYSVNFEKEYWDRVFEYFLAEYRAGRTPNPDVMCNKEIKFKAFLDYAMDLGADYVATGHYAQVTRDENGVVHMLRGVDNNKDQTYFLSQLSQEQLSKTMFPLGGMEKSEVRAIAERAGLATAKKKDSTGICFIGEKNFKQFLSNYLPAKKGNMVTLDGEVKGQHAGLMYYTIGQRQGLGIGGGGDSQEPWFVVGKDLATNTLYVGQGFHHPALYATSLDASEIHFTTNEPMPKEFKCTAKFRYRQQDVPVTVRLLDDNRAEVVFDEPVRAITPGQAVVFYDGMECLGGGLIDHAYQETKVLQYV 2HMA Chain:A ((5-376)) -SDNSKTRVVVGMSGGVDSSVTALLLKEQGYDVIGIFMKNWDDTD----CTATEDYKDVVAVADQIGIPYYSVNFEKEYWDRVFEYFLAEYRAGRTPNPDVMCNKEIKFKAFLDYAITLGADYVATGHYARVARDEDGTVHMLRGVDNGKDQTYFLSQLSQEQLQKTMFPLGHLEKPEVRRLAEEAGLSTAKKKDSTGICFIGEKNFKNFLSNYLPAQPGRMMTVDGRDMGEHAGLMYYTIGQRGGLGIG---GDNAPWFVVGKDLSKNILYVGQGFYHDSLMSTSLEASQVHFTREMPEEFTLECTAKFRYRQPDSKVTVHVK-GEKTEVIFAEPQRAITPGQAVVFYDGEECLGGGLIDNAYRDGQVCQYI

General information: TITO was launched using: RESULT: Template: 2HMA.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 : 2042 -194711 -95.35 -534.92 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.93 3D Compatibility (PKB) : -95.35 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_2HMA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HMA-query.scw PDB file : Tito_Scwrl_2HMA.pdb: