Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MGHPPPWTASPLFFLLLFWHAPPSLVSSCLHAGHALHVHPAHNPSLPPLSLPS-----DRPGAAGDGQTGASLVH-----NARAALPLCAS-------RVFAGGALQPSTAVPPRTQPLHRCARRYAPSGRLLLKPRLGLKALPIHEVAEGRAEQEDRARPPDPSVSGRTLTCVTLRTKE------TCNDADCGGLACRTGNATIAGRGA----RASDGRQPPTKQEGVFPVATSFRFS--SRSLRSSTPLSRYFLSSSP--SENKFEFHHFLSYTVTAELPTSAFT------FVDAPQSLTSCADVWSHPCRAFVFFPLQRSRTSVGFSPSSHSIRPSPRRWFSSVNLCALRASFGSIASSCSSPVGPDHSSLTAVAITRAVRCFPSHSAPFPPSSSCDLLSASSPSHASLPACSASASSSSPPSRARPTVCLYVPRT----------HSPRPPRSVGSAASPSSGGPRVSQSEGTPSGPVDSPLSPTSRGS-CSYSTPSVSCPGGLLLSLPSVSPVSLSTSLRHFLVS---YTSPFPARSLPLIFVDA---GLSLASDASLHAARPVGLSQEHRETCASALGSLIDTAVASNAVAQTSCECRPRGLPIVYSPRLVPPSFPRNHCLQPQKLGRLFSFLTHPSGASNLRTPESGVTKTWEAREAEIAKATSGVEGSHEFRWDYVTVHSDLRPKRLNSDHPVTKAGIGVGENRGREKNGEDGRPSEAGCEKSTSPSHALSPSASVPHGPVDATRQNGCGRDDPPRCTHPAGVQVTAGNELNRNPLLAGSHDQHMDST-----------RATLGTSVSSCFS------LFSPIHDADVTRAWLQVVHAPEYVCAASAAVLSEEEERKIGFP--------VTKG---YADKSLAEVSSTVLGTWLAFHFGLACVVGGG---THHAKTDSGG------------KFCVFNDVAVAA------------ALALKQGIAERILILDL-DVHQGDGTAEIFSNEPRVKTVSIHCEDNFPFPKAQSDV-DIGLPAGTGDEVYLRQLNEVG 5DKX Chain:A ((3-951)) EFVKEHDWK-------------------KCDQSGFCRRNRAYADHALSAISWESPYKIAPETGSFKDGQYQAIILKTINDHGETVRLPLTVSFLESGTARVTIDEEKRQKGEIELRHDSKAR-KERYNEAEQWVIVGGMTLDK-GAKVDYEDKTQMTVKYGPSSKFEATIKFAPFSIDFKRDGASHIKFNDQ--GLLNIEHWRPKIDPPDDSTWWEESFGGNTDSKPRGPESVGLDISFVGYEHVFGIPSHASPLSLKQTRGGEGNYNEPYRMYNADVFEYILDSPMTLYGSIPFMQAHRKDSSVGIFWLNAAETWVDITKGKDSKN-PLALGVKSKITTRTHWFSESGLLDVFVFLG-----------PT----PKDIISKYAELTGTTAMPQEFSLGYHQCRWNYVSDEDVKDVDRKMDKFNMPY---DVIWLDIEYTDEKKYFTWDKHSFKDPIGMGKQLEAH-GRKLVTIIDPHIKNTNNYPVVDELKSKDLAVKTKDGSIFEGWCWPGSSHWIDAFNPAAREWWKGLFKYDKFKGTMENTFIWNDMNEPSVFNGPEVTMPKDNLHHGNWEHRD-VHNLNGMTFQNATYHALLSRKPGEHR---RPFVLT---------RAFFAGSQRLGAMWT-------------------------------------GDNTADWGYLKASIPMVLSQGIAGFPFAGADVG----------GFFGNPDKDLLTRWYQTG-IFYPFFRA-HAHIDARRREPYLTGEPYNTIIAAALRLRYSL---LPSWYTAFRHAHLDGTPIIKPMFYTHPSEEAGLPIDDQFFIGNTGLLAKPVTDKDRTSVDIWIPDSEVYYDYFTYDIISAAKSKTATLDAPLEKIPLLMRGGHVFARRDIPRRSSALMKWD---PYTLVVVLGNDRKAEGDLYVDDGDSFDYEKGQYIHRRFIFDANTLTSADYEGRDDKEGEWLKKMRTVNVEKIIVVGAPAAWKGKKTVTVES-EGKTWAAAIEYNPAEKSRAAFAVVKKVGVRVGADFKIVFG------

General information: TITO was launched using: RESULT: Template: 5DKX.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 : 5387 147383 27.36 181.28 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 27.36 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.096

(partial model without unconserved sides chains): PDB file : Tito_5DKX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5dkx-query.scw PDB file : Tito_Scwrl_5DKX.pdb: