Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGIRITGTGLFHPTEIISNEELADSLNAYVEQYNQENAEKIAAGELEELRGSSAEFIEKASGIKRRYVIEKSGILDPTRLRPRLSERSNDELSIQAEWGVIAAKQAMENAGVTAEDIDVVILACSNMQRAYPAVAIEIQSALGIQGY-AYDMNVACSAATFGLKQAADAIRSGA-RRVLLVNVEITSGHLDYRNRDCHFIFGDVATASIIEETTTKTGFEILDIHLFTQFSNNIRNNFGFLNRSEDAVVDDKLFRQD-------GRKVFKDVCPLVAKIINAQLEKMQLTANDIKRFWLHQANANMNELILKYVAGKDADLSRTPIILDEFANTSSAGVIIALH---RTGHEVDDGEYGVISSFGAGYSVGSIVVQKHVA 5BNS Chain:A ((1-316)) MYTKIIGTGSYLPEQVRTN------------------------ADLEKMVDTSDEWIVTRTGIRERHIAAP-----------------NETVSTM---GFEAATRAIEMAGIEKDQIGLIVVATTSATHAFPSAACQIQSMLGIKGCPAFDVAAACAGFTYALSVADQYVKSGAVKYALVVGSDVLARTCDPTDRGTIIIFGDGAGAAVLAASEEP---GIISTHLHADGS------YGELLTLPNA---DRVNPENSIHLTMAGNEVFKVAVTELAHIVDETLAANNLDRSQLDWLVPHQANLRIISATAKKLG---MSMDNVVVTLDRHGNTSAASVPCALDEAVRDG-RIKPGQLVLLEAFGGGFTWGSALVR----

General information: TITO was launched using: RESULT: Template: 5BNS.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 : 1855 -99454 -53.61 -327.15 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -53.61 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_5BNS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BNS-query.scw PDB file : Tito_Scwrl_5BNS.pdb: