Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHIELKNKIVFVTGVAGFIGSNLTKRLFADIEGVKVVGIDNMNDYYDVRLKEARLEELFKFENFVFVKGNLADKAVITAIFEEHHPNIVVNLGAQAGVRYSIINPDAYIEGNMIGFYNILEACRHYPVEHLVYASSSSVYGSNKKIPYSTDDKVDNPVSLYAATKKSNELMTHAYSKLYNIPSTGLRFFTVYGPAGRPDMAYFGFTNKLLKGETIQIFNYGNCKRDFTYIDDIVEGVIRIMQGAPEKQ---TGEDGLPV---PPYAVYNIGNHNPENLLDFVQILLEELIRAGVLPEDYDFEAHKELVPMQPGDVPVTYADTEALERDYGFKPATPLRTGLRKFAEWYKEFYMSETV 5U4Q Chain:A ((7-336)) -----------LVTGAAGFIGFHIAQRLLN--EGHNVVGIDNMNDYYDVSLKQARLDRL-AYPAFHFQQLDLADREGMAKLFATEQFDRVIHLAAQA-------NPYAYADANLMGYLNILEGCRHTKVKHLVYASSSSVYGLNRKMPFSTEDSVDHPVSLYAATKKANELMAHTYSHLYGIPTTGLRFFTVYGPWGRPDMALFKFTKAMLEGKSIDVYNYGKMKRDFTYIDDIVEAVVRVLDVIPQANADWTVESGSPATSSAPYRVYNIGNSSPVELMDYITALEEAL----------GMEAQKNMMPI-------TSADTQPLYDLVGFKPQTSVKDGVKNFVDWYKDYYQ----

General information: TITO was launched using: RESULT: Template: 5U4Q.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 : 1689 -106117 -62.83 -342.31 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -62.83 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.563

(partial model without unconserved sides chains): PDB file : Tito_5U4Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5U4Q-query.scw PDB file : Tito_Scwrl_5U4Q.pdb: