Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKANHAKTVICGIINVTPDSFSDGGQFFALEQALQQARKLIAEGASMLDIGGESTRPGSSYVEIEEEIQRVVPVIKAIRKESDVLISIDTWKSQVAEAALAAGADLVNDITGLMGDEKMPHVVAEARAQVVIMFNPVMARPQHPSSLIFPHFGFGQAFTEEELADFETLPIEELMEAFFERALARAAEAGIAPENILLDPGIGFGLTKKENLLLLRDLDKLHQKGYPIFLGVSRKRFVINILEENGFEVNPETELGFRNRDTASAHVTSIAARQGVEVVRVHDVASHRMAVEIASAIRLADEAENLDLKQYK 3TYU Chain:A ((20-278)) -----------VMGILNVTPDS------HNNLDQALQHAQRMLSAGATLIDIGGESTRPGAAEVSEQEELDRVVPVVEALAQRFDVWLSVDTSKAAVITESAHAGAHLINDIRSL---QEPGALEAAAKTGLPVCLMHMQG----MQH---------SPYYDDLMTDINR---------FFQHHIERCVAAGIAKNKLLLDPGFGFGKNLAHNYQLLAHLSELHHFELPLLVGMSRKSMVGQLL-----NVPPQ------QRVIGSVACAVIAAMQGAQIIRVHDVKETVEAMCIVEATRSA------------

General information: TITO was launched using: RESULT: Template: 3TYU.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 : 1302 -151022 -115.99 -606.51 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -115.99 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.555

(partial model without unconserved sides chains): PDB file : Tito_3TYU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TYU-query.scw PDB file : Tito_Scwrl_3TYU.pdb: