Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAISIKHPGSVDVLEQIE-VPVPKPKQGELLIKVHTAAVNRTDIMKRESVSLK--PPYPILGVEVAGEVVENKSDISTFTPGTKVYGLV-NLGGYAEYAVMPADRAILLPDTLDYVSAAGISEVFLTAYQTLYWLGKLQEGETVLIHAGASGVGTAAIQLARQLSHAKIIVTAGSEEKLAFCKELGADELINYKKQDFQEEVRKITEGRGVDVILDFIGASYWEKNLASIAVDGRWVLIGMLGGTIVPEIDLGVLIGKRVQLLGTLLTPRSDQYKAELAQTFMQKAGPFLENGKIRPIIDRTFQFSAVKQAHEYMEANK-NIGKIILKITE 1YB5 Chain:A ((30-350)) MRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGL-KILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIE---INPRDTMAKESSIIGVTLFSST---KEEFQ-QYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILL---

General information: TITO was launched using: RESULT: Template: 1YB5.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 : 1891 -32934 -17.42 -104.22 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -17.42 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.581

(partial model without unconserved sides chains): PDB file : Tito_1YB5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YB5-query.scw PDB file : Tito_Scwrl_1YB5.pdb: