Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGQKVHPVGIRLGVVKRHNANWYANPKQYAEYLLKDLQVREFLTKKLKNAMVSNILIERPSGAAKVTISTARPGIVIGKKGEDIEKLQRELTNIMGVPAQVSINEIDRPDLDARLVAEAIASQLEKRVMFRRAMKRAVQNTMRAGAKGIKVEVSGRLGGAEIARTEWYREGRVPLHTLRADIDYATMRAETTYGTIGVKVWIFRGEILGGMKQVMNPAPAEERPAKRGRGRGEGQERRGRRGDRAADKGE 4AQY Chain:C ((2-207)) -GNKIHPIGFRLGITRDWESRWYAGKKQYRHLLLEDQRIRGLLEKELYSAGLARVDIERAADNVAVTVHVAKPGVVIGRGGERIRVLREELAKLTGKNVALNVQEVQNPNLSAPLVAQRVAEQIERRFAVRRAIKQAVQRVMESGAKGAKVIVSGRIGGAEQARTEWAAQGRVPLHTLRANIDYGFALARTTYGVLGVKAYIFLGEV-------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AQY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 944 -89392 -94.69 -433.94 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain C : 0.84 3D Compatibility (PKB) : -94.69 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.403

(partial model without unconserved sides chains): PDB file : Tito_4AQY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AQY-query.scw PDB file : Tito_Scwrl_4AQY.pdb: