Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIINKPSRVRPDGRGKVTGELKYMTDLSF-PGMLYGKVLRSAYPHAEIVSVCTIKAEKMEGVQAVVTHKDVPGLNRFGIVIPDQPVLCEDRVRYVGDAIAAVAAETEEIAEAALELIQVEYKELEVMDSPEKALRPNAQRLHEDGNILHRAFFSNGDVEEGFQASDTVFEETYELPRQMHTYMETEGGVAVPEDDGGFTMYAGTQHGYKDRFQLARIFDIPEEKIRIVSSPMGGSFGGKDELN-I-QPYAALLALKSGRPVKIHQTRKESVRSGIKRHPMKITIKTGADHSGNLLAHDVKIVADTGAYATLGPAVLDFSVEHAAGPYRIPNIRTEGISVFTNNGVAGEFRGFGGNQITFALETHLDRLSGMLGIDPLELRRKNIRKPHDLGPLEH--------RIAPTDGAAQVLNAISKSPILKKTSRNC-------GYLQRGTGAAITMHGGGLGFGRMDAAGGRLSLSSEGKITASFGFEECGQGILAAIEQIVMEELGCAAEDISIVIGDTAKVPKSGSSTASRGTSMVWHAIQRLKKPFLAQLKKRAAEWSGCSAENLIPGAAGLRDKNTKALVVTYKELAE-----KGPLAEETAFDFPTT----PDPVVGGHFLYSFGAAAVEVEVDLLTGDVKLIDCEHAIAAGPVVSPQGYRGQIEGGAAMALGYTLMEEAKMT-DGRYAAENLDHYLIPGIKDVPD-MKLIAIEDL-MKGDVYGPRGVGEIGTIAITPAIVKAVHDA---VGCW--INKLPISREELLEAIDRKGLKQWT 2W3S Chain:B ((2-776)) --SVGKPLPHDSARAHVTGQARYLDDLPCPANTLHLAFGLSTEASAAITGLDLEPVRESPGVIAVFTAADLPHDNDASPAPSPEPVLATGEVHFVGQPIFLVAATSHRAARIAARKARITYAPRPAILTLDQALAADSR--FEGGPVI----WARGDVETALAGAAHLAEGCFEIGGQEHFYLEGQAALALPAE-GGVVIHCSSQHPSEIQHKVAHALGLAFHDVRVEMRRMGGGFGGKESQGNHLAIACAVAARATGRPCKMRYDRDDDMVITGKRHDFRIRYRIGADASGKLLGADFVHLARCGWSADLSLPVCDRAMLHADGSYFVPALRIESHRLRTNTQSNTAFRGFGGPQGALGMERAIEHLARGMGRDPAELRALNFYDPPE----KKTQTTHYGQEVA-DCVLGELVTRLQKSANFTTRRAEIAAWNSTNRTLARGIALSPVKFGISFTLTHLNQAGALVQIYTDGSVALNHGGTEMGQGLHAKMVQVAAAVLGIDPVQVRITATDTSKVPNTSATAASSGADMNGMAVKDACETLRGRLAGFVAAREGCAARDVIFDAGQVQASG---KSWRFAEIVAAAYMARISLSATGFYATPKLSWDRLRGQGRPFLYFAYGAAITEVVIDRLTGENRILRTDILHDAGASLNPALDIGQIEGAYVQGAGWLTTEELVWDHCGRLMTHAPSTYKIPAFSDRPRIFNVALWDQPNREETIFRSKAVGEPPFLLGISAFL-ALHDACAACGPHWPDLQAPATPEAVLAAVRRAEGR---

General information: TITO was launched using: RESULT: Template: 2W3S.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 4807 52509 10.92 72.53 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : 10.92 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_2W3S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W3S-query.scw PDB file : Tito_Scwrl_2W3S.pdb: