Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MLYTLGQKIGEGGCSEVFEVGDNR-----IIKLAKENTSFEALRRE-YLNNCIAWECGLPIPQPFELTKMSGRPGIVFEHIAGKTMMERFFNQVIVSHNNEVKQADVQLTAQLLFRVHQALAEGKELPCQKSIIKSNILSVNYL-SASEKESAISLLESLETKQCLCHGDPNPRNVI--------------------------VKDDGEAILLDWMNATIG-------------NPEADIAEYIVMIRYAVLPSSFPEETRDMFDSIRE---------DLIDIFIDEYYRLSGISYDDVVPWIIPILARKLSADAISDVEKKKLVAEIRRDLGKQKNRV------------------------------- 4XHG Chain:A ((2-397)) DLRVGRKFRIGRKIGSGSFGDIYHGTNLISGEEVAIRLESIRSRHPQLDYESRVYKYLSGGVGIPFIRWFG--REGEYNAMVIDLLGPS--LEDLFNYC-----------HRKFSFKTVIMLALQMICRVQYIHGRSFIHRDIKPDNFLMGVGRRGSTVHVIDFGLSKK---YRDFNTHRHIPYRENKSLTGTARYASVNTHLGIEQSRRDDLESLGYMLIYFCKGSLPWQGLKATTKKQKYDRILEKKLCISVETLCAGLPLEFSEYMNYCRNLKFDERPDYLYLARLFKDLSIKLEYHNDHLFDWTMLRYTKAMVEKKNDSFNKVKLLAMKKFASHFHYCKNDDKHYPTPEEIKQQTVQNNNAAPELLSAIDK

General information: TITO was launched using: RESULT: Template: 4XHG.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 : 1263 11847 9.38 44.54 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 9.38 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.303

(partial model without unconserved sides chains): PDB file : Tito_4XHG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4xhg-query.scw PDB file : Tito_Scwrl_4XHG.pdb: