Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKANHAKTVICGIINVTPDSFSDGGQFFALEQALQQARKLIAEGASMLDIGGESTRPGSSYVEIEEEIQRVVPVIKAIRKESDVLISIDTWKSQVAEAALAAGADLVNDITGLMGDEKMPHVVAEARAQVVIMFNPVMARPQHPSSLIFPHFGFGQAFTEEELADFETLPIEELMEAFFERALARAAEAGIAPENILLDPGIGFGLTKKENLLLLRDLDKLHQKGYPIFLGVSRKRFVINILEENGFEVNPETELGFRNRDTASAHVTSIAARQGVEVVRVHDVAS-HRMAVEIASAIRLADEAENLDLKQYK 3TYE Chain:A ((39-285)) --------KTLIMGILNVTP------GSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHN-------------------------RDNMNYRNLMADMIADLYDSIKIAK--DAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVL-----------DLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMA----------------------

General information: TITO was launched using: RESULT: Template: 3TYE.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 : 1334 -136070 -102.00 -566.96 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -102.00 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_3TYE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TYE-query.scw PDB file : Tito_Scwrl_3TYE.pdb: