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

General information: TITO was launched using: RESULT: Template: 2XKC.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 : 1007 -19478 -19.34 -85.06 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -19.34 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.620

(partial model without unconserved sides chains): PDB file : Tito_2XKC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XKC-query.scw PDB file : Tito_Scwrl_2XKC.pdb: