Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTSVRDIALEALIKLEQNQAYSNLLLKSVIKSNELSDQNRGLLTELVYGTLQNKIALDYMLKPFIN-KPQKVKPWVIQLLRLSLYQMEYLEKIPDRAAI----HEAVEIAKIRGHKGIASFVNGVLRSIQREGVPSFDAIEDP---VRRLATETSHPEWLVKEWADAYGFEAAEKICRIHLIPPKQTLRVNQMKADRAELLDQMAAEGIEVEKGDLAEDAVKLLKG--TIAGTHFFQNGEVSIQDESSMLVARALDPKSDETVLDACAAPGGKSAHIAELMKNKGSVTSLDLHKHKVKLIKEAADRLGLTIIHAETMDARKAGETFENEQFDRILVDAPCSGFGVIRRKPDMKYTKKPDDSARLAEIQLSILREIAPLVKKGGTLVYSTCTMDRTENDEVIHAFIQEHPDFEPDLSLEKRLPEK--VRPFVRDGRLQILPHYFGTDGFFICSMRKKG 2YXL Chain:A ((50-448)) ----------------------------------------NR-VLTMIFYDIMKKQGLIDKVIKEIVGVTPLILDPWLRAALRVAVDIALFHD--PSSQTIKNLRWKASDFISSRTHPYVGMYFWDLLDKI-------FEYKPNPKNELEELEWKYLAPSWLIERVKGILGDETEDFFRSVNKRHEWISIRVNTLKANVEEVIGELEEDGVEVVRSERVPTILKI-KGPYNFDTSSAFNEGKIIVQEEASAVASIVLDPKPGETVVDLAAAPGGKTTHLAELMKNKGKIYAFDVDKMRMKRLKDFVKRMGIKIVKPLVKDARKAPEIIGEEVADKVLLDAPCTSSGTIGKNPELRWRLREDKINEMSQLQRELLESAARLVKPGGRLLYTTCSIFKEENEKNIRWFLNVHPEF-------KLVPLKSPYDPGFLEGTMRAWPHRHSTIGFFYALLEK--

General information: TITO was launched using: RESULT: Template: 2YXL.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 : 2020 -171192 -84.75 -442.36 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -84.75 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_2YXL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YXL-query.scw PDB file : Tito_Scwrl_2YXL.pdb: