Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKKKLLLIDGSSVAFRAFFALYQQLDRFKNAAGLHTNAIYGFQLMLSHLLERVEPSHILVAFDAGKTTFRTEMYADYKGGRAKTPDEFREQFPFIRELLDHMGIRHYELAQYEADDIIGTLDKLAEQDGFDITIVSGDKDLIQLTDEHTVVEISKKGVAEFEAFTPDYLMEEMGLTPAQFIDLKALMGDKSDNIPGVTKVGEKTGIKLLLEHGSLEGIYENIDGMKTSKMKENLINDKEQAFLSKTLATIDTKAPIAIGLEDLVYSGPDVENLGKFYDEMGFKQLKQALNMSSADVAEGLDFTIVDQISQDMLSEESIFHFELFGENYHTDNLVGFAWS---CGDQLYATDKLEL--------LQDPIFKDFLEKTSLRVYDFKKVKVLLQR-FGVDLQAPAFDIRLAKYLLSTVEDNEIATIASLYGQTYLVDDETFYGKGVKKAIPEREKFLEHLACKLA-VLVETEPILLEKLSE-NGQLELLYDMEQPLAFVLAKMEIAGIVVKKETLLEMQAENELVIEKLTQEIYELAGEEFNVNSPKQLGVLLFEKLGLPLEYTKKT--KTGYSTAVDVLERLAPIAPIVKKILDYRQIAKIQSTYVIGLQDWIL-ADGKIHTRYVQDLTQTGRLSSVDPNLQNIPARLEQGRLIRKAFVPEWEDSVLLSSDYSQIELRVLAHISKDEHLIKAFQEGADIHTSTAMRVFGIERPDNVTANDRRNAKAVNFGVVYGISDFGLSNNLGISRKEAKAYIDTYFERFPGIKNYMDEVVREARDKGYVETLFKRRRELPDINSRNFNIRGFAERTAINSPIQGSAADILKIAMIQLDKALVAGGYQTKMLLQVHDEIVLEVPKSELVEMKKLVKQTMEEAIQLSVPLIADENEGATWYEAK 4BWJ Chain:A ((9-539)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PPEGAFVGFVLSRKEPMWADLLALAAARGGRVHRAPEPYKALRDL----KEARGLLAKDLSVLALREGLGLP-PGDDPMLLAYLLDPSN-TTPEGVARRYGGE----------------------W-TEEAGERAALSERLFANLWGRLEGEERLLWLYREVERPLSAVLAHMEATGVRLDVAYLRAMSLEVAEEIARLEAEVFRLAGHPFNLNSRDQLERVLFDELGLPAI--GKTEKTGKRSTRAAVLEALREAHPIVEKILQYRELTKLKSTYIDPLPDLIHPRTGRLHTRFNQTATATGRLSSSDPNLQNIPVRTPLGQRIRRAFIAEE-GWLLVALDYSQIELRVLAHLSGDENLIRVFQEGRDFHTETASWMFGVP-REAVDPLMRRAAKTINFGVLYGMSAHRLSQELAIPYEEAQAFIERYFQSFPKVRAWIEKTLEEGRRRGYVETLFGRRRYVPDLEARVKSVREAAERKAFNMPVQGTAADLMKLAMVKLFPRLEE--MGARMLLQVHDELVLEAPKERAEAVARLAKEVMEGVYPLAVPLEVEVGIGEDWLSAK

General information: TITO was launched using: RESULT: Template: 4BWJ.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 : 2512 78315 31.18 152.36 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 31.18 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.482

(partial model without unconserved sides chains): PDB file : Tito_4BWJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BWJ-query.scw PDB file : Tito_Scwrl_4BWJ.pdb: