Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERTENLKKGEKGALLNIFAYVILAVVKLVIGILYHSEALRADGLNNGTDIVASVAVLIGLRISQRPADSDHPYGHYRAETISSLVASFIMMAVGIEVLIGGGKAIAGGTTETPNLIAAWTALGSAVFMYGIYLYNKRLAASIKSSALMAAAKDSRSDAFVSAGAFIGVFSSQLKLPWVDPVTAFIIGIIICKTAWDIFKDASHSLTDGFHLKDLEPYKQTVGRIENVHRLKDVKARYLGSTVHIEMVITVDPKLTVEEGHGVADEVEDKIKHE-HDVTHVHVHVEPDDIK 3W60 Chain:A ((17-82)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RVPGVRGVIHLRARYVGQDIWADMIIGVDPENTVEQAAEICEAVQAAVCGKIRRIESLHVSAEARE--

General information: TITO was launched using: RESULT: Template: 3W60.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 : 235 -41951 -178.51 -645.39 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -178.51 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_3W60.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W60-query.scw PDB file : Tito_Scwrl_3W60.pdb: