Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDTSVLPIIILLPLILGTTLVSLLQRFSRGVTALGAIGVSLTSFGLLLTQAKTVLGGASIQQS-----WDWLPQLGINLSFRL--DALGLLFSLLITGIGTLIYIYAYYYLGPKNSLSKLYLLLMLFMAAMLGISLSNNLIILLVFWELTSISSFLLVGYWSHYEAAQRGSRMALTITGMGGLAMLGGFVLLGQITGTYEINDIVGMKDLIQSHY-----LFVPTLLLILLGAFTKSAQFPFHFWLPNAMAAPTPVSAYLHSATMVKAGIFLLARLAPIFIGAALYHNIVTFVGLFTLCMTACFAIFKEDLKGLLAYSTISHLGLIVCLLGIGSPLAFAAAIFHIINHATFKAALFMIAGII----DHETGTRDLRKLSGIWQLLPFTATLTMITAASMAGVPL-TNGFISKEMFFTELLASLSGSTVIFASIIATLAGIFAVS-YSIRLVHGVFFDGPVGKQVPNKNAHEPPIGMRAPAILLAILCILVGIFPALLVEPLVNSVTRASLMQPDFAGTHLAIWHGFNAPLIMSIIALVGGTLFYFALAKDGMIRKIDLDPRLGRLQGRILFDLFLKHLLLTSRKIKQKTENGSLQSYLFLIIAFSIVMVTLPLFNQGLTTGTRELTHAPWIAVVLWLTLFSGCWMMLWFHHERIKAVLISGAIGLVVTMVFVTMSAPDLALTQITVDVVTTVLLLMSLSLLPQLTPYESRRSRRWRDAALAIIGGLGIGWITWLILTRDHNSISWFFAQQSLPLGGGSNIVNVILVDFRGFDTFGEITVLGIAAIGALCLMDGMRVHGTTMTQGLTYRFNPSPLMFRITASWVLPLALVVSVYIFMRGHNYPGGGFIAGLITSMALIIQYIALGQDQAEQMLKAQSGRLYEIWIGSGLTIAGLTGIAAWFWARPFLTSAHVYVELPVLGKLHLASAASFDLGVYITVVGATMLLISVLGDSRHSSMSGPVPHGEKSS 3RKO Chain:B ((2-475)) ---NMLALTIILPLIGFVLLAFSRGRWSENVSAI--VGVGSVGLAALVTAFIGVDFFANGEQTYSQPLWTWMSVGDFNIGFNLVLDGLSLTMLSVVTGVGFLIHMYASWYMRGEEGYSRFFAYTNLFIASMVVLVLADNLLLMYLGWEGVGLCSYLLIGFYYTDPKNGAAAMKAFVVTRVGDVFLAFALFILYNELGTLNFREMV---ELAPAHFADGNNMLMWATLMLLGGAVGKSAQLPLQTWLADAMAGPTPVSALIHAATMVTAGVYLIARTHGLFLMTPEVLHLVGIVGAVTLLLAGFAALVQTDIKRVLAYSTMSQIGYMFLALGVQ---AWDAAIFHLMTHAFFKALLFLASGSVILACHHE---QNIFKMGGLRKSIPLVYLCFLVGGAALSALPLVTAGFFSKD----EILAGAMANGHI-NLMVAGLVGAFMTSLYTFRMIFIVFH----GKEQIHAHAVK-GVTHSLPLIVLLILSTFVG---ALIVPPL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RKO.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 : 2698 -399125 -147.93 -875.27 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -147.93 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_3RKO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RKO-query.scw PDB file : Tito_Scwrl_3RKO.pdb: