Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYQSKKVLLLGSGELGKEVVIEAQRLGVQTVAVDSYEHAPAMQVAHNSYVVDMLDPEQIRTIIEKENPDLIVPEVEAIATDELLKLEEEGFHVIPNARAAKLTMDREGIRRLAAETLGLATAGYEFANTYDEFIQAAAQIGFPCVVKPLMSSSGKGQSVCRSEADLESCWETAMEGGRVKNGRVIVEEFIPFE---SEITLLTVRAVNGTAFCEPIGH--VQKDGDYIESWQPHDMTEQQIEEAKHIAKTITDELGGYGLFGVELFLAKDRVYFSEVSPRPHDTGLVTLVT--QNLSEFALHVRAILGFPITEITQL----S---PGASRPLK-APEELADYTVEGLENALAVPKTQVRVFGKPITKAGRRMAVALSAADSVETARENAKKALDQLILK 2DWC Chain:A ((17-413)) -DSAQKILLLGSGELGKEIAIEAQRLGVEVVAVDRYANAPAMQVAHRSYVGNMMDKDFLWSVVEREKPDAIIPEIEAINLDALFEFEKDGYFVVPNARATWIAMHRERLRETLVKEAKVPTSRYMYATTLDELYEACEKIGYPCHTKAIMS------YFVKGPEDIPKAWEE---------EKIIVEEHIDFDVEVTELAVRHFDENGEIVTTFPKPVGHYQIDGDYHASWQPAEISEKAEREVYRIAKRITDVLGGLGIFGVEMFVKGDKVWANEVSPRPHDTGMVTLASHPPGFSEFALHLRAVLGLPIPGEWVDGYRLFPMLIPAATHVIKAKVSGYSPRFRGLVKALSVPNATVRLFGKPEAYVGRRLGIALAWDKDVEVAKRKAEMVAHMIEL-

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 A - contact count / total energy / energy per contact / energy per residue : 2150 -196281 -91.29 -534.83 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -91.29 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.526

(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: