Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKITFIGAGSTIFAKNVLGDCLLTEALNGFEFALYDIDPKRLQESQLMLENLRDRYNPSVAINSYDDRKLALQNAGYVINAIQVGGYKPSTVIDFEIPKRYGLRQTIADTVGIGGIFRSLRTIPVLFDIAKDMEEMCPDAWFLNYTNPMATLTGAMLRY---TNIKTIGL-CHS-VQVCTKDLFKALGMEHDGIEERIAGINHMAWL---LEVKKDGTDLYPEIKRRAKEKQKTKHHDMVRFELMDKFGYYVTESSEHNAEYHPYFIKRNYPELISELQIPLDEYPRRCVKQIENWEKMRDDIVNNKNLTHERSKEYGSRIIEAMETNEPFTFGGNVLNTGLITNLPSKAVVEVTCVADRKKITPCFAGELPEQLAALNRTNINTQLMTIEAAVTRKKEAVYQAAMLDPHTSAELSMKDIISMCDDLFAAHGDWLPEYK 3VPG Chain:A ((1-297)) -MKVGIVGSGMVG--SATAYALALL-GV-AREVVLVDLDRKLAQA---HAEDILHATPFAHPVWVRAGSYGDLEGARAVVLAAGVAQRPGET-RLQ-------L---------------LDRNAQVFAQVVPRVLEAAPEAVLLVATNPVDVMTQVAYRLSALPPGRVVGSGTILDTARFRALLAEHLRVAPQSVHAYVLGEHGDSEVLVWSSAQVGGVPLLEFAEAR--------------------GRALSP-------EDRA------R--IDEG-VRRAAY---------RIIE------GKG-A-TYYGIGAGLARLVRAILTDEKGVYTVSAFTPE-VEGVL-EVSLSLPRILGAGGVEGTVYPSLSPEEREALRRS---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VPG.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 : 1597 -105857 -66.28 -366.29 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -66.28 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_3VPG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VPG-query.scw PDB file : Tito_Scwrl_3VPG.pdb: