Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERTENLKKGEKGALLNIFAYVILAVVKLVIGILYHSEALRADGLNNGTDIVASVAVLIGLRISQRPADSDHPYGHYRAETISSLVASFIMMAVGIEVLIGGGKAIAGGTTETPNLIAAWTALGSAVFMYGIYLYNKRLAASIKSSALMAAAKDSRSDAFVSAGAFIGVFSSQLKLPWVDPVTAFIIGIIICKTAWDIFKDASHSLTDGFHLKDLEPYKQTVGRIENVHRLKDVKARYLGSTVHIEMVITVDPKLTVEEGHGVADEVEDKIKHEHDVTHVHVHVEPDDIK 3W8P Chain:B ((17-61)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RVPGVRGVIHLRARYVGQDIWAAMIIGVDPENTVEQAHEICEAVQ----------------------

General information: TITO was launched using: RESULT: Template: 3W8P.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 102 -18847 -184.77 -418.82 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain B : 0.51 3D Compatibility (PKB) : -184.77 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.417

(partial model without unconserved sides chains): PDB file : Tito_3W8P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W8P-query.scw PDB file : Tito_Scwrl_3W8P.pdb: