Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKANHAKTVICGIINVTPDSFSDGGQFFALEQALQQARKLIAEGASMLDIGGESTRPGSSYVEIEEEIQRVVPVIKAIRKESDVLISIDTWKSQVAEAALAAGADLVNDITGLMGDEKMPHVVAEARAQVVIMFNPVMARPQHPSSLIFPHFGFGQAFTEEELADFETLPIEELMEAFFERALARAAEAGIAPENILLDPGIGFG-LTKKENLLLLRDLD-----KLHQKGYPIFLGVSRKRFVINILEENGFEVNPETELGFRNRDTASAHVTSIAARQGVEVVRVHDVASHRMAVEIASAIRLADEAENLDLKQYK 2Y5S Chain:B ((22-290)) --------RPLVMGILNATP----------ARDDALRRAERMIAEGADLLDIGGESTRPGAPPVPLDEELARVIPLVEALRP-LNVPLSIDTYKPAVMRAALAAGADLINDIWGF----RQPGAIDAVRDGNSGLC--AMHMLGEPQTMQVGEPDYGDVVT--DVRDFLAARAQALR------------DAGVAAERICVDPGFGFGKAVVDDNYALLAALPDTAPARPDGRAYPILAGMSRKSMLGAVIGG-----KPPLE-----RVAASVAAALCAVERGAAIVRVHDVAATVDALSVWNAVRAA------------

General information: TITO was launched using: RESULT: Template: 2Y5S.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 : 1421 -132059 -92.93 -521.97 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -92.93 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_2Y5S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Y5S-query.scw PDB file : Tito_Scwrl_2Y5S.pdb: