Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSSASLPEQQPVNGSSDPQNHHYVNPLVSSFPTVVGPKLPCKYRVRRAIGRGAFSTVWLLINNRTGETVVGKLSDASHSSSACKAFAEAEVENMRCCSHPNIISLIE-TFEAGEKSLYI-LEYANAGDLQAQVDTRAQPPPGANDGTPIPYREDEALVIFAQLSLAIRYLHDRRIMHRDLKTSNVLLTRSGLIKLGDFGFSRQYQESVSGEVGKTFCGTPYYLAPEMWQRQSYSYKADIWSLGVIMYELLALKKPFQATNLSELMETVTRQGSFDPLPADRYSSDMISLVNQMLRVDPSERPSINDILALPLFQQRGLTILKINVRRIKNLDAEVRTRLVEDVEAVLGDNNLSSEASPL 2XK8 Chain:A ((8-271)) -------------------------------------------YEVLYTIGT----RCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDL-ASVITKGTKERQYLD-------EEFVLRVMTQLTLALKECHRRS---RDLKPANVFLDGKQNVKLGDF-----------------FVGTPYYMSPEQMN----NEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKI-REGKFRRIPY-RYSDELNEIITRMLNLKDYHRPSVEEILENPLI----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XK8.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 -40467 -40.31 -175.18 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -40.31 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.616

(partial model without unconserved sides chains): PDB file : Tito_2XK8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XK8-query.scw PDB file : Tito_Scwrl_2XK8.pdb: