Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKANHAKTVICGIINVTPDSFSDGGQFFALEQALQQARKLIAEGASMLDIGGESTRPGSSYVEIEEEIQRVVPVIKAIRKESDVLISIDTWKSQVAEAALAAGADLVNDITGLMGDEKMPHVVAEARAQVVIMFNPVMARPQHPSSLIFPHFGFGQAFTEEELADFETLPIEELMEAFFERALARAAEAGIAPENILLDPGIGFGLTKKENLLLLRDLDKLHQKGYPIFLGVSRKRFVINILEENGFEVNPETELGFRNRDTASAHVTSIAARQGVEVVRVHDVAS-HRMAVEIASAIRLADEAENLDLKQYK 3H2N Chain:B ((39-285)) --------KTLIMGILNVTP---SDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGEST------VSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHN-------------------------RDNMNYRNLMADMIADLYDSIKIAK--DAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVL-----------DLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMA----------------------

General information: TITO was launched using: RESULT: Template: 3H2N.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 : 1330 -139531 -104.91 -588.74 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -104.91 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_3H2N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3H2N-query.scw PDB file : Tito_Scwrl_3H2N.pdb: