Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKKILVVDDEKPIADILEFNLRKEGYEVHCAHDGNEAVEMVEELQPDLILLDIMLPNKDGVEVCREVRKKYDMPIIMLTAKDSEIDKVIGLEIGADDYVTKPFSTRELLARVKANLRRQLTTAPAEEEPSSNEIHIGSLVIFPDAYVVSKRDETIELTHREFELLHYLAKHIGQVMTREHLLQTVWGYDYFGDVRTVDVTVRRLREKIEDNPSHPNWIVTRRGVGYYLRNPEQD 1NXO Chain:A ((2-119)) --KKILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDLM---IDGLEVAKTIRKTSSVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRS-------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1NXO.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 : 556 -78903 -141.91 -686.11 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -141.91 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.751

(partial model without unconserved sides chains): PDB file : Tito_1NXO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NXO-query.scw PDB file : Tito_Scwrl_1NXO.pdb: