Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAAAASASQDELNQLERVFLRLGHAETDEQLQNIISKFLPPVLLKLSSTQEGVRKKVMELLVHLNKRIKSRPKIQLPVETLLVQYQDPAAVSFVTNFTIIYVKMGYPRLPVEKQCELAPTLLTAMEGKPQPQQDSLMHLLIPTLFHMKYPVESSKSASPFNLAEKPKTVQLLLDFMLDVLLMPYGYVLNESQSRQNSSSAQGSSSNSGGGSGIPQPPPGMSFYAAKRVIGDNPWTPEQLEQCKLGIVKFIEAEQVPELEAVLHLVIASSDTRHSVATAADLELKSKQSLIDWNNPAIINKMYKVYLGDIPLKTKEGAVLKPELKRDPVSTRVKLKIVPHLLRSRQAAETFPANIQVVYDGLFGTNTNSKLRTLSLQFVHHICITCPEIKIKPLGPMLLNGLTKLINEYKEDPKLLSMAYSAVGKLSSRMPHLFTKDIALVQQLFEALCKEEPETRLAIQEALSMMVGAYSTLEGAQRTLMEALVASYLIKPEVQVRQVAVKFASTVFPSDHIPSRYLLLLAAGDPREEVHGEAQRVLRCLPGRNRKESTSEQMPSFPEMVYYIQEKASHRMKTPVKYMTGTTVLPFNPAAFGEIVLYLRMCLAHSAGVVPTSQSLADMQDHAPAIGRYIRTLMSSGQMAPSSSNKSGETNPVQIYIGLLQQLLAGVGGLPVMYCLLEAVSVYPEKLATKFVDKTEWIKSLMNNSKEEMRELAALFYSVVVSTVSGNELKSMIEQLIKTTKDNHSPEIQHGSLLALGFTVGRYLAKKKMRMSEQQDLERNADTLPDQEELIQSATETIGSFLDSTSPLLAIAACTALGEIGRNGPLPIPSEGSGFTKLHLVESLLSRIPSSKETNKMKERAIQTLGYFPVGDG---------------DFPHQKLLLQGLMDSVEAKQIELQFTIGEAITSAAIGTSSVAARDAWQMTEEEYTPPAGAKVNDVVPWVLDVILNKHIISPNPHVRQAACIWLLSLVRKLSTHK--EVKSHLKEIQSAFVSVLSE--NDELSQDVASKGLGLVYELGNEQ-----DQQELVSTLVETLMTGKRVKHEVSGETVVFQGGALGKTPD--GQGLSTYKELCSLASDLSQPDLVYKFMNLANHHAMWNSRKGAAFGFNVIATRAGE-------------------QLAPFLPQLVPRLYRYQFDP-------NLGIRQAMTSIWNALVTDKSMVDKYLKEILQDLVKNLTSNMWRVRESSCLALNDLLRGRPLDDIIDKLPEIWETLFRVQDDIKESVRKAAELALKTLSKVCVKMCDPAKGAAGQRTIAALLPCLLDKGMMSTVTEVRALSINTLVKISKSAGAM-------LKPHAPKLIPALLESLSVLEPQVLNYLSLRATEQEKAAMDSARLSAAKSSPMMETINMCLQYL---DVSVLGELVPRLCELIRSGVG--------------LGTKGGCASVIVSLTTQCPQDLTPYSGKLMSALLSGLTD--RNSVIQKSCAFAMGHLVRTSRDS---STEKLLQKLNGWYMEKEEPIYKTSCALTIHAIGRYSPDVLKNHAKEVLPLAFLGMHE--IADEEKSEKEECNLWTEVWQENVPGSFGGIRLYLQELITITQKALQSQ------------SWKMKAQGAIAMASIAKQTSS-----LVPPYLGMILTALLQGLAGRT--WAGKEELLKAIACVVTACSAELEKSVPNQPSTNEILQAVLKECS---KENVKYKIVAISCAADILKATKEDRFQEFSNIVIPLIKKNSLESSGVRTTKNEEENEKEKELQLEYLLGAFESLGKAWPRNAETQRCYRQELCKLMCERLKLSTWKVQLGVLQSMNAFFQGLMLLEEEHADPEALAEILLETCKSITYSLENKTYSSVRTEALSVIELLLKKLEESKQWECLTSECRVLLIESLATMEPDSRPELQEKAALLKKTLENLE 4XRI Chain:A ((21-873)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SPDATLRHAAEQQLTHAAETN------------FSQYLLTLVQALANESSEGHIRAAAGIALKNAFSAREFARQAALQAKWLNQTDQETRTRVKQLALETLASPNSKAGQAAAQVIAAIAAIELPR----------------------NQWPELMHAL-VRNASEGGQHQKQASLTAIGFICETQDTDLRNSLVGHSNAILTAVVQGARKEEPNNEVRFAAITALGDSLEFVGNNFKHEGERNYIMQVVCEATQAQD-------SRIQQGAFGCLNRIMALYYEHMRYY---------M--EKALFGLTILGMKSDDEDVAKLAVEFWSTVCEEEIAIEDDNAQVESSEQMRPFYNFARVATNEVVPVLLQLLTKQDEDASDDEYNISRAAYQCLQLYAQAVG--STIIPPVIQFVEHNLRHADWHFRDAAVSAFGAIMDGPEEKVLEPIVKTGMQPLIAMMEDESIQVRDSTAYALGRITEACSEAIDP------NTHLEPLIRSLF-NGLMN-SPKMAASCCWALMNIAERFAGEPGAAQNPLTPHFNQSVTNLLTVTAPMN-----------------GDSTVRTAAYE------VLSVFVQNAANDSLSAVASLSTVILQRLEETLPLQQQVVSVEDKLILEDMQTSLCTVLQATVQRLDKEIAPQGDRIMQVLLQILSTCGGKSSVPEGVFAAISALANAMEEEFAKYMEAFAPFLYNALGNQEEPSLCSMAIGLVSDVTRSLGERSQPYCDNFMNYLLGNLRSTTLAN------QFKPAILQCFGDIASAIGGHFETYLTIVAQVLQQAATITAGPDGSYEMIDYVISLREGIMDAWGGIIGAMKTSNKTNVLQPYVESIFALLNSIANDPNRSEALMRASMGVIGDLADAYPNGQL----ADAFRQDWITAMIRETRSNREFGARTIETARWAREQVKRQIA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XRI.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 : 3642 -20481 -5.62 -27.38 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -5.62 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.185

(partial model without unconserved sides chains): PDB file : Tito_4XRI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4xri-query.scw PDB file : Tito_Scwrl_4XRI.pdb: