Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLISLPKQILQCGQLQLDLSQPHVMGILNVTPDSFSDGGKHNQLDQAVDHALSMIEQGATIIDIGGESTRPGASEVAVEEEVRRVVPVVEALSHHNVILSIDTSQPEVIRAAKAAGAHIWNDVRALTGPNALKTAVELDIPVVIMHMR-GEPTTMNQLDQYTDVTLDVMQELQQRIDEALAAGVKKHNIIVDPGFGFAKNAQQNLKLLKEFWKLNELGYPILSGLSRKRFIGEALQGA--PADQRAVGSVTGHLLSIQQGASIVRAHDVKEMHEAILVWKAMQQA 2DZB Chain:A ((14-285)) -------VRTLWLRDRALDLDRVRLLGVLNLTP-------------RALERAREMVAEGADILDLGAES----------EEEKRRLLPVLEAVLSLGVPVSVDTRKPEVAEEALKLGAHLLNDVTGLRDERMVALAARHGVAAVVMHMPVPDPATMMAHARYRDVVAEVKAFLEAQARRALSAGVPQ--VVLDPGFGFGKLLEHNLALLRRLDEIVALGHPVLVGLSRKRTIGE-LSGVEDPA-QRVHGSVAAHLFAVMKGVRLLRVHDVRAHREALGVWEAL---

General information: TITO was launched using: RESULT: Template: 2DZB.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 : 1389 -90071 -64.85 -366.14 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -64.85 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.588

(partial model without unconserved sides chains): PDB file : Tito_2DZB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DZB-query.scw PDB file : Tito_Scwrl_2DZB.pdb: