Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHIELKNKIVFVTGVAGFIGSNLTKRLFADIEGVKVVGIDNMNDYYDVRLKEAR-LEELFKFENFVFVKG---NLADKAVITAIFEEHHPNIVVNLGAQAGVRYSIINPDAYIEGNMIGFYNILEACRHYPVEHLVYASSSSVYGSNKKIPYSTDDKVDNPVSLYAATKKSNELMTHAYSKLYNIPSTGLRFFTVYGPAGRPDMAYFG----FTNKLLKGETIQIFNYGNCKRDFTYIDDIVEGVIRIMQGAPEKQTGEDGLPVPPYAVYNIGNHNPENLLDFVQILLEELIRAGVLPEDYDFEAHKELV--PMQPGDVPVTYADTEALERDYGFKPATPLRTGLRKFAEWYKEFYMSETV 1SB9 Chain:A ((21-350)) -KELPAQPKVWLITGVAGFIGSNLLETLLKLDQ--KVVGLDNFATGHQRNLDEVRSLVSEKQWSNFKFIQGDIRNLDDCNNACAGVD-----YVLHQAALGSVPRSINDPITSNATNIDGFLNMLIAARDAKVQSFTYAASSSTYGDHPGLP-KVEDTIGKPLSPYAVTKYVNELYADVFSRCYGFSTIGLRYFNVFGRRQDPNGAYAAVIPKWTSSMIQGDDVYINGDGETSRDFCYIENTVQANLLAATAGLDARN----------QVYNIAVGGRTSLNQLFFALRDGLAENGV-------SYHREPVYRDFREGDVRHSLADISKAAKLLGYAPKYDVSAGVALAMPWYIMF------

General information: TITO was launched using: RESULT: Template: 1SB9.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 : 1880 -27379 -14.56 -85.56 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -14.56 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_1SB9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SB9-query.scw PDB file : Tito_Scwrl_1SB9.pdb: