Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLRSGALCKALSSPASLPEASATVSSRGSAADHSIPVSAPVFIDAFEDLTTAKPSLHREPHISSSKSPNELERRRRCYHGTQPCEQVLFTPPVRETVISEEEELSLLHARRMCSSDAQLGTTQAACAWRPASPEFTDLVPFLASQSPLEPLCSSEPAAVAPLSLNATRRASPRDATTDTAAAPTTSGDSSKITMATVSSLTVHTDSNTGRALHSRTSSLLYYSPHIHYDGNSESLETEAALHSSHAAISSSISCFHASSLVTPRALPSYPLSSSSRNSMALTKLQAESSRSEGNRSSSPTGTCGGAACIISDALALTHEKPDHLLLRALASEEGAYVPPLSTFTTTQCTIPPITAPQAEKQNVNTKSGFAPSVPSIRLPVAYSIPVSDSERSLASIPALGYGPRSTPNACSLTSARSGPSARSARHSNRCTSTLRNGVPTLKELFPTLPDELYLTRDRLCISHDSKRRLGSGAYGIVQQAELYPPGVEAPRMFTPTSESAASTSIPSTPCFSPANGRVSIHSFSSIAAAVGNHENVAGASNGGYFGAEQTGRPGAMALAAKTSGNIHFRTVSMFSSDSVTASALPLHQQPYNGQTASFYNGVDDMVRWSSAVESVKDLPWGHALSLNNDATPNMTTAQATVLSPTSGSHETPAFDAVSTASSEGQHSASQSSSVERPLHCKTTAATTMDFNCQTQNDLRLPAVLGLRLGHNPDLRVSPRTSLPVSSGHLSGRVCGAATAVDDAGESTVCTGICEEGRDCLASVIESVRPSRGEGEAVDGETEPWAQHSMTSRTGRGAFALPHSPVGGGRAYRSSSMRVWRRVACGRGNESEGSGLRTYPSFTSPTIHEVSMGTSSAAAVEGKQTPCCEMVVPPATVDAYLHRFLSRTADLVSSKFVDHVDAADHTVREAAVVGADANDKAQAEGYGCLPSALPRALEDREEGGEYEPAEKTSATPERRGPESRRQRMQESLEMSRSSFLVSISYAEHELTCSDAGDETLTLTAQQAIEGAIREAQEEHQHAMDQTPEGTEKTPGAGLRLRLKGHDISCAGSEAQSEMRSDGEAATTTSTDVVLAAAAGEAERMAQRFTHLSTGTSAPASTAMAKSTNAGFFGPRTHVGGGVGGDAILGGHVTPSSTSNSWTPSGTAPIGASAAASAMSATSITRPGNLGGALVSGGTNNTLQSSFDFPRTPAVHHDMKPSMVSDALSSGAVPFRSVATKVIEKVDLTRNAMKLNAFHNELRMASRLRHPCLVNMFGVAED----AKHFYLVMDLAEKGNLAQYQQRFGVRATREMAPQFTADVVLALEYLRDGSQHSYWVTPPPDSTDDSLLQDHRHCTSRTLGMRGSAGEASAAEPRGLPGSTSAHLLRQATESASAATVSKRLSLSAPTTPPLPSQHTGATDATDNVGADACSSVSAVRLVPRESMSESSESPLRTSSTAFGHEPPVPAHTATLPRQQDDNGRSVAQQDSI--IVHRDLKPENLLLT-WDFHVKLADFGDACFYGDNEANNFGGTPSYISPEVFARCKASPYSDLWALGCVLYELLVGERLFSGSLVEVGTAVQQFKPEALIFPDTLTSTMADSLTAKGRDARERGTGSAAGIAEAAKDLVRQLLQPVPEERLGSAERGGFDALKAHPFFADISWDKVLQTTNMTTTNTNYTAELAEYLEPTEAVVYCSPVKLLPTVEGSSSKEHLSTKSGGTNSRSTQIALVMALTDAPRLLLVNLDLHMVQFEIPWSTELCVSVLRTERFTVTVPFSDVLRSPSIPVPGSTLPPTTTAETSPMHSSSNFSAAAANTITYTFSDCNGRADLWGVKIHHLQSMCSAKLESGSAAGRSLPRLYSTPVVPTAGGAFHLPRSSASSQQLKHQRRRDTPTLSPRAGRRFLQWPRTTPRTMRAGSLGSLTFSSNERSIGAPRDMRSTAATGTCAALSSDACGCTLSARITPATRTRATSSSHRISVSQSSAFTVSSAAAATPCTPSVMLHSSDMLQPPSLTGAALPSFHRGSATVTVTIASSNTSDSPRGSLNTWKANVGDSESVSSPKSPLEFDCTQSTACARPAAPPPLCSTASTSANTPGVSPTNTTAIPIGGEDSPQCGGNVSEARWNGYFLTPATSTCASTGALHPLSASATATYASGSVPESALGCSSSVGNVTPHLAFCSGPRCGGEGLLSNSFEVTHEALSQGEGTPGPWNTPTQADSTTGTPGTPGVLRLPSVCRDKEEGGAVGGGAPIIALAETAPAAAAAAAKLPIKRSQARQQYHGAQKMKSKPCSAAATSSTAEVALEKR 5O2C Chain:A ((51-293)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VEVAWCELQDRKLTKA--EQQRFKEEAEMLKGLQHPNIVRFYDSWESILKGKKCIVLVTELMTSGTLKTYLKRFK-VMKPKVLRSWCRQILKGLQ---------------------------------------------------------------------------------------------------------------------------------------------------------------FLHTRTPPIIHRDLKCDNIFITGPTGSVKIGDLGLATLMRTSFAKSVIGTPEFMAPEMYE-EHYDESVDVYAFGMCMLEMATSEYPYSECQNAA-QIYRKVTSG--IKPAS----------------------FNKVTDPEVKEIIEGCIRQNKSERLSIR------DLLNHAFFAEDTGLRV----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5O2C.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 : 1145 -9947 -8.69 -42.15 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -8.69 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_5O2C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5O2C-query.scw PDB file : Tito_Scwrl_5O2C.pdb: