Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKANHAKTVICGIINVTPDSFSDGGQFFALEQALQQARKLIAEGASMLDIGGESTRPGSSYVEIEEEIQRVVPVIKAIRKESDVLISIDTWKSQVAEAALAAGADLVNDITGLMGDEKMPHVVAEARAQVVIMFNPVMARPQHPSSLIFPHFGFGQAFTEEELADFETLPIEELMEAFFERALARAAEAGIAPENILLDPGIGFGLTKKENLLLLRDLDKLHQKGYPIFLGVSRKRFVINILEENGFEVNPETELGFRNRDTASAHVTSIAARQGVEVVRVHDVAS-HRMAVEIASAIRLADEAENLDLKQYK 3H21 Chain:A ((39-285)) --------KTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGG----------SVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHN-------------------------RDNMNYRNLMADMIADLYDSIKIAK--DAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVL-----------DLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMA----------------------

General information: TITO was launched using: RESULT: Template: 3H21.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 : 1333 -139300 -104.50 -590.25 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -104.50 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_3H21.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3H21-query.scw PDB file : Tito_Scwrl_3H21.pdb: