Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERTENLKKGEKGALLNIFAYVILAVVKLVIGILYHSEALRADGLNNGTDIVASVAVLIGLRISQRPADSDHPYGHYRAETISSLVASFIMMAVGIEVLIGGGKAIAGGTTETPNLIAAWTALGSAVFMYGIYLYNKRLAASIKSSALMAAAKDSRSDAFVSAGAFIGVFSSQLKLPWVDPVTAFIIGIIICKTAWDIFKDASHSLTDGFHLKDLEPYKQTVGRIENVHRLKDVKARYLGSTVHIEMVITVDPKLTVEEGHGVADEVEDKIKHEHDVTHVHVHVEPDDIK 3BYP Chain:A ((25-86)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GRALEVH---DLKTRRAGPRSFLEFHLVVRGDTPVEEAHRLCDELERALAQAFPGLQATIHVEPE---

General information: TITO was launched using: RESULT: Template: 3BYP.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 : 198 -23186 -117.10 -373.96 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -117.10 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_3BYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BYP-query.scw PDB file : Tito_Scwrl_3BYP.pdb: