Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHIELKNKIVFVTGVAGFIGSNLTKRLFADIEGVKVVGIDNMNDYYDVRLKEARLEELFKFENFVFVKGNLADKAVITAIFEEHHPNIVVNLGAQAGVRYSIINPDAYIEGNMIGFYNILEACRHYPVEHLVYASSSSVYGSNKKIPYSTDDKVDNPVSLYAATKKSNELMTHAYSKLYNIPSTGLRFFTVYGPAGRPDMAYFGFTNKLLKGETIQIFNYGNCKRDFTYIDDIVEGVIRIMQGAPEKQ------TGEDGLPVPPYAVYNIGNHNPENLLDFVQILLEELIRAGVLPEDYDFEAHKELVPMQPGDVPVTYADTEALERDYGFKPATPLRTGLRKFAEWYKEFYMSETV 5U4Q Chain:B ((3-336)) -------AMKFLVTGAAGFIGFHIAQRLLN--EGHNVVGIDNMNDYYDVSLKQARLDRL-AYPAFHFQQLDLADREGMAKLFATEQFDRVIHLAAQAGVR--LENPYAYADANLMGYLNILEGCRHTKVKHLVYASSSSVYGLNRKMPFSTEDSVDHPVSLYAATKKANELMAHTYSHLYGIPTTGLRFFTVYGPWGRPDMALFKFTKAMLEG------------RDFTYIDDIVEAVVRVLDVIPQANADWTVESGSPATSSAPYRVYNIGNSSPVELMDYITALEEALGM--------------------------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 B - contact count / total energy / energy per contact / energy per residue : 1653 -108031 -65.35 -362.52 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -65.35 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.551

(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: