Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSERTFNWKNKDIRAQVDVVDSKLLPTLLLRNALV-LNPYV--KQWLKKNIWIYQDRIVYVGHELPNRAEEIHTIDCEGKYIVPGYIEPHAHPF-QIYNP--------------------------------QTLAEYVSQYGTTTFVNDNLFLLLQSGKKKALTILNELKKQPVQYFWWSRYDLQTEVLNEDHVLPFDVRKQWIEHP---D-VIQGGEMTGW-PRLVDGDDLMLHCMQATKKQRKRIEGHFPGASDKTLTK-----MKLFGA-----DCDHEAMTGDEVMRRLE-LGYYVSLRNSSIRP--DVRKILQELHEKGFRYYDHFFYTTDGATPNFYKGGMTNELIRIAL---E-----EGVPAIDAYNMASFNIAKYYQMDDYLGVVGPGRLASLNILE-D-PL----------------NPNPVTVLSKGTILRENGCDLKAFTKTDWHKGGLVPLELSYDMTMDDLQFSMPMGVKMRNAVIMEPYMIEIDNSMEQLSFDHDESYLTMLDRHGKWRVNTMIKGFASSVQGFVSSFTTTGDIVAIGKNKADMLLAFARMKEIGGGIVLAENGNILHEIPLALCGCASSEAYEDVLEKEQKLRDLLTERGYEFCDPIYTLLFLQSTHLPYIRITPRGIFDVMKKTVLFPSIMR 3HPA Chain:A ((29-457)) -------------------------KTLLVKHADVLVTMDDTRRELRDAGLYIEDNRIVAVGPSAELPETADEVLDLRGHLVIPGLVNTHHHMYQSLTRAVPAAQNAELFGWLTNLYKIWAHLTPEMIEVSTLTAMAELLQSGCTTSSDHLY-IYPN-G-SRLDDSIGAAQRIGMRFHASRGAMS--------EPDILRDTQRLIETYHDEGRYAMLRVVVAPCSPFSVSRDLMRDAAVLAREYGVSLHTHLAENVN-DIAYTPAEYAEDLGWVGHDVWHAHCVQLDDAGIGLFARTGTGVAHCPCSNMRLASGIAPVKKMRLAG-V---PVGLGVDGSASN--DGAQMVAEVRQALLLQRVGFGPDAMTAREALEIATLGGAKVLNRD-DIGALKPGMAADFAAFDLRQPLFAGALHDPVAALVFCAPSQTAYTVVNGKVVVREGRLAT------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HPA.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 : 2041 -152956 -74.94 -469.19 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -74.94 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_3HPA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HPA-query.scw PDB file : Tito_Scwrl_3HPA.pdb: