Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYQSKKVLLLGSGELGKEVVIEAQRLGVQTVAVDSYEHAPAMQVAHNSYVVDMLDPEQIRTIIEKENPDLIVPEVEAIATDELLKLEEEGFHVIPNARAAKLTMDREGIRRLAAETLGLATAGYEFANTYDEFIQAAAQIGFPCVVKPLMSSSGKGQSVCRSEADLESCWETAMEGGRVKNGRVIVEEFIPFESEITLLTVRAV--NG---TAFCEPIGHVQKDGDYIESWQPHDMTEQQIEEAKHIAKTITDELGGYGLFGVELFLAKDRVYFSEVSPRPHDTGLVTLVTQ--NLSEFALHVRAILGFPITE--------ITQLSPGASRPLKAPEELADYTVEGLENALAVPKTQVRVFGKPITKAGRRMAVALSAADSVETARENAKKALDQLILK 2DWC Chain:B ((18-405)) --SAQKILLLGSGELGKEIAIEAQRLGVEVVAVDRYANAPAMQVAHRSYVGNMMDKDFLWSVVEREKPDAIIPEIEAINLDALFEFEKDGYFVVPNARATWIAMHRERLRETLVKEAKVPTSRYMYATTLDELYEACEKIGYPCHTKAIMS----GSYFVKGPEDIPKAWEE---------EKIIVEEHIDFDVEVTELAVRHFDENGEIVTTFPKPVGHYQIDGDYHASWQPAEISEKAEREVYRIAKRITDVLGGLGIFGVEMFVKGDKVWANEVSPRPHDTGMVTLASHPPGFSEFALHLRAVLGLPIPGEWVDGYRLFPMLIPAATHVIKAKVSGYSPRFRGLVKALSVPNATVRLFGKPEAYVGRRLGIALAWDKDVEVAKRKAE---------

General information: TITO was launched using: RESULT: Template: 2DWC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2160 -199453 -92.34 -554.04 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -92.34 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_2DWC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DWC-query.scw PDB file : Tito_Scwrl_2DWC.pdb: