Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEEATTLPQQFIKKYRLLLGEEASDFFSALEQGSVKKGFRWNPLKPAGL---------DMVQTYHSEELQPAPYSNEGFLGTVNGKSFLHQAGYEYSQEPSAMIVGTAAAAKPGEKVLDLCAAPGGKSTQLAAQMKGKGLLVTNEIFPKRAKILSENIERWGVS--NAIVTNHAPAELVPHFSG--FFDRIVVDAPCSGEGMFRKDPNAIKEWTEESPLYCQKRQQEILSSAIKMLKNKGQLIYSTCTFAPEENEEIISWLVENYPVTIEEIPLTQSVSSGRSEWGSVAGLEKTIRIWPHKDQGEGHFVAKLTFHGQNQMHKEKKTRKKSKVQMTKEQEKLWTEFSNDFHYEATGRLLVFNDHLWEVPELAPSLDGLKVVRTGLHLGDFKKNRFEPSYALALATKKIENIPCLPITQKEWQSYTAGETFQRDGNQGWVLLVLDKIPVGFGKQVKGTVKNFFPKGLRFH 2YXL Chain:A ((158-446)) --------PSWLIERVKGILGDETEDFFRSVNKRHEWISIRVNTLK-ANVEEVIGELEEDGVEVVRSERV-PTILKIKGPYNFDTSSAF--NEGKIIVQEEASAVASIVLDPKPGETVVDLAAAPGGKTTHLAELMKNKGKIYAFDVDKMRMKRLKDFVKRMGIKIVKPLVKD---ARKAPEIIGEEVADKVLLDAPCTSSGTIGKNPELRWRLREDKINEMSQLQRELLESAARLVKPGGRLLYTTCSIFKEENEKNIRWFLNVHP-EFKLVPLKSPYDPG--------FLEGTMRAWPHRHSTIGFFYALL------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 1395 55665 39.90 201.68 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 39.90 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.436

(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: