Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHLNSSIDKKMTTLNILFKTTSLCLAMALLVGCNDNDDNDSSTPAPRSNQTVNILAFNDFHGNLEPPKRYVEAANPNDASQTVRIPVGGVSYFADAIKKLKAQ----NPNNVVVSAGDLISASPLTSSLFLDEPTIEVMNDIQIDFNAVGNHEFDRGTDELRRLQNGGCQQYTSTAPCQINKNFSGAKFNFLAANVAMKNDTSKTIFPAYKVKTYGGIPVAFIGLTLKATPSIVSAAGIKDVEFRDEADTVNALIPELQKQGIEAIVVVVHEGAAPSTKLNQKTCDGLSGPILGILDRLNPAVDIVVSGHTHQSYICDYATKNPAKPFLLTSAGQYGTLITDIKVGLDGKTGDIIKKDAKQIPVQSEAYTSGTTTVSLTDLYQKFSKTPSIEAILDKYRQAVTTISGRVVGTSTAVVSRTQVESGESPLGDMIADAQQAAALQASNQGSDFTLMNPGGVRADLLINSSNQITFGDIFAVQPFGN-SIVTLSLTGKQIRDVLEQQWSGAN------ANSPRILQPSKELSYQYAANTSVSPRASNIMVAGSPLVDTKVYRVTVNSFLADGGDNFTVLKEGQNRVGGGQDIDALESYVAQNSKDSPLIIPATTRIKVIK 2WDC Chain:A ((78-552)) ----------------------------------------------RGTPLAYLLSYVDFVELARTFG-----------------PIGGMGALTALIRDQKARVEAEGGKALVLDGGDTWTNSGLS-LLTRGEAVVRWQNLVGVDHMV-SHWEWTLGRERVEELLGL-------------------FRGEFLSYNIVDDLFGD-PLFPAYRIHRVGPYALAVVGASYPYVKVSHPESFTEGLSFALDERRLQEAVDKARAEGANAVVLLSHNGMQLDA---------------ALAERI-RGIDLILSGHTHDLTPRPWR----VGKTWIVAGSAAGKALMRVDLKLWKGG--IANLRVRVLPVLA----------------EHLPKAEDVEAFLKAQLAPHQDHLFTPLAVSETLLYKR--DTLYSTWDQLVGEAVKAIY-----PEVEVVFSPAVRWGTTIL--PGQAITWDHLYAYTGFTYPELYLFYLRGAQIKAVLEDIASNVFTSDPFYQQGGDVSRVF-GLRYVLDPDAPTGERVREVEVGGRPLDPNRRYLAAAYG-----GR-LQRVGEAKPGYEPRPIYEVLAEYLRSVG---RVRVRPEPNVKVIG

General information: TITO was launched using: RESULT: Template: 2WDC.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 : 2627 3570 1.36 7.69 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 1.36 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_2WDC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WDC-query.scw PDB file : Tito_Scwrl_2WDC.pdb: