Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKRYSFLFSSLLAVGLLQGCGDDSSSDQPKDDSNTTPPNLIVDNDPTSCSKLAQDGSSVVVGSNQNGDPAAPEGASGYRLGNTVKYADKYMVVANTPLAVKAGCDVLKAGGSAVDAAVAVQAVLGLVEPQSSTIAGSGFMMYYDAKTKQVTAYDGRETAPAAANEFYLIRQNIYDPNSPPPVPNARRSGRSIGVPGVMRLLEQAQKEHGKLEWKQLFGEAIGLADNGFRIPGRLADAIASNASNLALDADAMRIYFHSDGSPRKVGETMTNKEYADTLKAIVSEGANALHNGRIAQAIVSEAGRTEGDDPAKTPITPSLMTLQDLSNYQVKKRDPICTTYRDRYYVCTMPPPSSGGIAVAQTLGILENFDMSLYPPKNPENEGGVLDVMGVHLVSEAERLAYADRDKYVADTDFVRLLAQGIPSFIDKNYLKQRAALINPNQSMGVAP---AGNFNT-----AAG-V-DTTVEHGTTQFTIVDAYGNVVSMTSTVESSMGSFHMVD--GFLLSNQLTDFSANPYDSTGAPVANRVEGGKRPRSTMAPTLVFKGTTPDEFYMATGSPGGGTIIQYVVKTLVGALDWNLNAQQATSLVNFGATNSKNTNIDSSNVQLSLVDLIEGLKAKGHGISNT-AQTSGISTIMKVNINNQSKYAGGVDPRREGIVLGNGAL 4Y23 Chain:A ((35-579)) ----------------------------------------------------------------------------------DKVAVGKDGMVATAHPLASKIGAEVLKKGGNAIDAAIAIQYALNVTEPMMSGIGGGGFMMVYDGETKETSIINSRERAPEGAKPDMFLDEDG----KVIPFSERSRHGNAVGVPGTLKGLEAAHKKWGTKKMEDLISPSIKLTEEGFPIDSVLADAIKDHQDKLSK-TAA-KDIFLPDGEPLKEGDILVQKDMAKTFKLIRKEGSKAFYDGEIGRAIADVVQDFG-----------GSMTPDDLSRYEVTTDKPIWGEYHG-YDIASMPPPSSGGVFMLQMLKLIDDFHLSQYDPKSFEK---------YHLLAETMHLSYADRAAYAGDPEFVDVPLRGL---LDPDYIKERQKLISLDSMNRDVKEGDPWKYEEGEPNYEIVPQPEDKTIGEATHFTVTDQWGNVVSYTTTIEQLFGTGILVPGYGLFLNNELTDFDAIPGG------ANEVQPNKRPLSSMTPTIVFKDEKP---VLTVGSPGGTTIIASVFQTILNYFEYGMSLQDAIEEPRIYTNSLTSYRYE---SGM-PEDVRRKLNDFGHKFGSNPVDIGNVQSIFID--RENKTFMGVADSSRNGTAVGVN--

General information: TITO was launched using: RESULT: Template: 4Y23.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 : 3473 -111080 -31.98 -208.80 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -31.98 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_4Y23.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Y23-query.scw PDB file : Tito_Scwrl_4Y23.pdb: