Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSSASLPEQQPVNGSSDPQNHHYVNPLVSSFPTVVGPKLPCKYRVRRAIGRGAFSTVWLLINNRTGETVVGKLSDASHSSSACKAFAEAEVENMRCCSHPNIISLIE-TFEAGEKSLYI-LEYANAGDLQAQVDTRAQPPPGANDGTPIPYREDEALVIFAQLSLAIRYLHDRRIMHRDLKTSNVLLTRSGLIKLGDFGFSRQYQESVSGEVGKTFCGTPYYLAPEMWQRQSYSYKADIWSLGVIMYELLALKKPFQATNLSELMETVTRQGSFDPLPADRYSSDMISLVNQMLRVDPSERPSINDILALPLFQQRGLTILKINVRRIKNLDAEVRTRLVEDVEAVLGDNNLSSEASPL 2XK7 Chain:A ((8-271)) -------------------------------------------YEVLYTIGTG---RCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDL-ASVITKGTKERQYLD-------EEFVLRVMTQLTLALKECHRRS---RDLKPANVFLDGKQNVKLGDF------------------VGTPYYMSPEQMN----NEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKI-REGKFRRIPY-RYSDELNEIITRMLNLKDYHRPSVEEILENPLI----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XK7.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 : 1004 -32435 -32.31 -140.41 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -32.31 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.598

(partial model without unconserved sides chains): PDB file : Tito_2XK7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XK7-query.scw PDB file : Tito_Scwrl_2XK7.pdb: