Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MNKVNQILEEKVMPIAGRIAGQR-HLQALRDG---IILTMPL-IIIGSFFLIIGNLPIP-GYAEFMAK-TFGSSWSEKLAYPVDATFEIMGLVAAFGIAYRLAEKYGVDALSAGAISLAAFLLATPYQV-PFMPDGATKEIMVGGGIPLSLMGSKGLFVAMII-AMVSTE--IYRLIIQRNLVFKMPDGVPPAVSKSFVALIPGFAVIFLIWAARLIVEATPFESLHNIVSVLLGTPLSIL-GGSLGGSLVAEAVKMLLWACGLHGANIVGGVMAPI-WYGAMDA-NRIAFQAGEELPKIFTQQFFDIWVNIGGSGATLALVVTMFLRARSKQMKQLGKLAVGPAIFNINEPIIFGMPIVMNPMLLLPFIITPLVTVTLTYIGMSTGLVAKPAGIAVPWTMPPIFSGYLATGGKVSGAVMQAINIAVSFVVYYPFFRMWDKQKLKEENDLELVQTPAATDDKEAAL 4KQ7 Chain:A ((2-374)) QSNMTNEMFDLAKLKSGVKNKRISSTDPTGGNRDHLEPFKPGEKRIIADIKGMGVINHIWVTIAPPPPTLSRNDIIIRMYWDGNDYPSVESP---------IGPFFGQGWDERYNYASLPLSAGPENGTGLSC---YFAMPF-EKGARIEIENQSDRNID---AFYFYVDYLEMAKLPKDMGRFHAWYNHNLTEALPEG------------------------------ETEWGVTGAQKPNTTGERNYVFMETQGKGHFVGINYYVHC---------------PTPMWYGEGDDMW---FIDGEKVPSLIGTGTEDFFNTAWCPKEAFSHPYFGYPRVN-NDIGWLGRTHV--YRFFIEDPIFFEKSLK--------------------------GTIEHGSNNNLTLDLSTVAYWYQDSAVALPEAPTKAQRAPKPFINHVDIHRWRDAWRKSKGNKATLWGNE----------

General information: TITO was launched using: RESULT: Template: 4KQ7.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 : 1970 -40842 -20.73 -117.02 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -20.73 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.156

(partial model without unconserved sides chains): PDB file : Tito_4KQ7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KQ7-query.scw PDB file : Tito_Scwrl_4KQ7.pdb: