Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNRMILNETSYFGKGAIESIVPEFQQRGFGKAAVITDKGLIEHGIATKVTELLDKAAIAYALYDGIVPNPTIQNVKDGVAFVKEAEADCLIAIGGGSPIDTAKAIGIILTNPEFSDVISLEGVADTKNPCLPILAIPTTSGTAAEVTINYVITDEVNHRKFVCVDPHDIPIVAFIDSDMMMGMPKKLAASTGMDAMTHAIEGFITKGAWEMTDMLHLKAIEIIGHSLEVSVDG--DQNGREKMALGQYIAGMGFSNVGLGLVHGMAHPLSAWYNIPHGVACAALLPTVMKYNKEYTGEKYREIALVLGI-------KGAAEMSLEDVREAACGEIDRLSKAVGIPETISELGVKEADIPAIAEDALRDVCTPGNPRETTVEEIIALYQSLM 3OX4 Chain:D ((14-381)) ------------MGEGSLEKAIKDLNGSGFKNALIVSDAFMNKSGVVKQVADLLKAQGINSAVYDGVMPNPTVTAVLEGLKILKDNNSDFVISLGGGSPHDCAKAIALVATNG--GEVKDYEGIDKSKKPALPLMSINTTAGTASEMTRFCIITDEVRHVKMAIVDRHVTPMVSVNDPLLMVGMPKGLTAATGMDALTHAFEAYSSTAATPITDACALKAASMIAKNLKTACDNGKDMPAREAMAYAQFLAGMAFNNASLGYVHAMAHQLGGYYNLPHGVCNAVLLPHVLAYNASVVAGRLKDVGVAMGLDIANLGDKEGAEATIQAVRD--------LAASIGIPANLTELGAKKEDVPLLADHALKDACALTNPRQGDQKEVEELFLS--

General information: TITO was launched using: RESULT: Template: 3OX4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2262 -163748 -72.39 -456.12 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain D : 0.83 3D Compatibility (PKB) : -72.39 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_3OX4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OX4-query.scw PDB file : Tito_Scwrl_3OX4.pdb: