Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASIDNESIIKSVPQKGFFGHPRGLFTLFFTEFWERFSYYGMRAILLYYLYTETVNGGLGFDKGTAVAIMSIYGSLVYMSTIIGGWLADRVFGTANTVFYGGIFIMFGHIALAYPGSSIAF-YISMVLIIVGTGLLKPNVSSVVGDLYTKEDPRRDSGFSIFYMGINLGGLLAPLIVGTLGQKYNYHLGFGAAAVGMLLGLIVFALTRKKNLGLAGSNVPNPLSKKSAIGTGIGVIIVAIAVIISVQTGVLTIKRFIDLVSILGILIPVIY---FIIMFTSKKADKTEKSRLAAYVPLFIGAVMFWAIQEQGATILAVYADERIRLSLGGFELQSSWFQSLNPLFVVIFAPIFAWLWMKLGKRQPSTPVKFSIGIILAGLSFIIMV----FPAMQGKEALVSPLWLVLSFLLVVLGELCLSPVGLSVTTKLAPAAFSAQTMSMWFLTNAAAQAINAQVAGLFDKIPETMYFGTIGLISIVLGGILLLLSPVIKRAMKGVL 4Q65 Chain:A ((7-420)) --------------------QPRAIYYVVALQIWEYFSFYGMRALLILYLTNQ-----LKYNDTHAYELFSAYCSLVYVTPILGGFLADKVLGNRMAVMLGALLMAIGHVVLGASEIHPSFLYLSLAIIVCGYGLFKSNVSCLLGELYEPTDPRRDGGFSLMYAAGNVGSIIAPIACGYAQEEYSWAMGFGLAAVGMIAGLVIFLCGNRHFTHTRGV-----------RATNFLLPNWGWLLVLLVATPALITILFWKEWSVYALIVATIIGLGVLAKIY---ENQKQR-ELGLIVTLTFFSMLFWAFAQQGGSSISLYIDRFVN------TVPTAMFQSINAFAVMLCGVFLAWVV----NRTVRIWGKFALGLGLMSAGFCILTLSARWSAMYG---L--PL-MVLGLAVMGFAELFIDPVAMSQITRI---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4Q65.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 : 1673 -305801 -182.79 -833.25 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -182.79 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.323

(partial model without unconserved sides chains): PDB file : Tito_4Q65.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q65-query.scw PDB file : Tito_Scwrl_4Q65.pdb: