Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSSASLPEQQPVNGSSDPQNHHYVNPLVSSFPTVVGPKLPCKYRVRRAIGRGAFSTVWLLINNRTGETVVGKLSDASHSSSACKAFAEAEVENMRCCSHPNIISLIE-TFEAGEKSLYI-LEYANAGDLQAQVDTRAQPPPGANDGTPIPYREDEALVIFAQLSLAIRYLHDRRIMHRDLKTSNVLLTRSGLIKLGDFGFSRQYQESVSGEVGKTFCGTPYYLAPEMWQRQSYSYKADIWSLGVIMYELLALKKPFQATNLSELMETVTRQGSFDPLPADRYSSDMISLVNQMLRVDPSERPSINDILALPLFQQRGLTILKINVRRIKNLDAEVRTRLVEDVEAVLGDNNLSSEASPL 2XK3 Chain:A ((8-271)) -------------------------------------------YEVLYTIGT----RCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDL-ASVITKGTKERQYLD-------EEFVLRVMTQLTLALKECHRRS---RDLKPANVFLDGKQNVKLGDFG-----------------VGTPYYMSPEQMNR---NEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKI-REGKFRRIPY-RYSDELNEIITRMLNLKDYHRPSVEEILENPLI----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XK3.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 : 1013 -25653 -25.32 -110.57 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -25.32 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.619

(partial model without unconserved sides chains): PDB file : Tito_2XK3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XK3-query.scw PDB file : Tito_Scwrl_2XK3.pdb: