Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLYSLARPMLFSLAPERAHELTLSMLDKAHKLGIMRQTVEAKPTTCMGIEFPNPVGLAAGLDKNGAHIDALAGLGFGFIEIGTITPHPQSGNPKPRLFRIPEAKAIINRMGFNNDGVDKLIENVKASKFRGILGINIGKNADTPVEKAVDDYLICLEKVYNYASYITVNISSPNTKNLRSLQSGDALTELLQALKARQLELAEQYNHYVPLVLKVAPDLTAEDVEFISAQLLDFKIDGLIVTNTTLSREGVENLPY-GNESGGLSGAPVFEKSTECLRLFAQTLKGQISLIGVGGILSGEQAAAKQQAGATLVQIYSGLIYTGPTLVKQCVEAMT 4XQ6 Chain:B ((32-324)) ---------------------------------LLGPTDPVLASTVFGVRFPAPLGLAAGFDKDGTALSSWGAMGFGYAEIGTVTAHPQP------LFRLADDRALLNRMGFNNHGARALAIRLARHRPEIPIGVNIGKTKKTPAGDAVNDYRASARMVGPLASYLVVNVSSPNTPGLRDLQAVESLRPILSAVRAE---------TSTPVLVKIAPDLSDSDLDDIADLAVELDLAGIVATNTTVSRDGLTTPGVDRLGPGGISGPPLAQRAVQVLRRLYDRVGDRLALISVGGIETADDAWERITAGASLLQGYTGFIYGGERWAKDIHEGIA

General information: TITO was launched using: RESULT: Template: 4XQ6.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 : 1764 -131450 -74.52 -459.62 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -74.52 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.608

(partial model without unconserved sides chains): PDB file : Tito_4XQ6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XQ6-query.scw PDB file : Tito_Scwrl_4XQ6.pdb: