Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLYSLARPMLFSLAPERAHELTLSMLDKAHKLGIMRQTVEAKPTTCMGIEFPNPVGLAAGLDKNGAHIDALAGLGFGFIEIGTITPHPQSGNPKPRLFRIPEAKAIINRMGFNNDGVDKLIENVKASKFRGILGINIGKNADTPVEKAVDDYLICLEKVYNYASYITVNISSPNTKNLRSLQSGDALTELLQALKARQLELAEQYNHYVPLVLKVAPDLTAEDVEFISAQLLDFKIDGLIVTNTTLSRE-----GVENLPYGNESGGLSGAPVFEKSTECLRLFAQTLKGQISLIGVGGILSGEQAAAKQQAGATLVQIYSGLIYTGPTLVKQCVEAMT 4XQ6 Chain:B ((42-323)) -------------------------------------------STVFGVRFPAPLGLAAGFDKDGTALSSWGAMGFGYAEIGTVTAHPQP------LFRLADDRALLNRMGFNNHGARALAIRLARHRPEIPIGVNIGKTKKTPAGDAVNDYRASARMVGPLASYLVVNVSSPNTPGLRDLQAVESLRPILSAVRAET---------STPVLVKIAPDLSDSDLDDIADLAVELDLAGIVATNTTVSRDGLTTPGVDRL----GPGGISGPPLAQRAVQVLRRLYDRVGDRLALISVGGIETADDAWERITAGASLLQGYTGFIYGGERWAKDIHEGI-

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 : 1657 -110473 -66.67 -407.65 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -66.67 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.611

(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: