Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAAAASASQDELNQLERVFLRLGHAETDEQLQNIISKFLPPVLLKLSSTQEGVRKKVMELLVHLNKRIKSRPKIQLPVETLLVQYQDPAAVSFVTNFTIIYVKMGYPRLPVEKQCELAPTLLTAMEGKPQPQQDSLMHLLIPTLFHMKYPVESSKSASPFNLAEKPKTVQLLLDFMLDVLLMPYGYVLNESQSRQNSSSAQGSSSNSGGGSGIPQPPPGMSFYAAKRVIGDNPWTPEQLEQCKLGIVKFIEAEQVPELEAVLHLVIASSDTRHSVATAADLELKSKQSLIDWNNPAIINKMYKVYLGDIPLKTKEGAVLKPELKRDPVSTRVKLKIVPHLLRSRQAAETFPANIQVVYDGLFGTNTNSKLRTLSLQFVHHICITCPEIKIKPLGPMLLNGLTKLINEYKEDPKLLSMAYSAVGKLSSRMPHLFTKDIALVQQLFEALCKEEPETRLAIQEALSMMVGAYSTLEGAQRTLMEALVASYLIKPEVQVRQVAVKFASTVFPSDHIPSRYLLLLAAGDPREEVHGEAQRVLRCLPGRNRKESTSEQMPSFPEMVYYIQEKASHRMKTPVKYMTGTTVLPFNPAAFGEIVLYLRMCLAHSAGVVPTSQSLADMQDHAPAIGRYIRTLMSSGQMAPSSSNKSGETNPVQIYIGLLQQLLAGVGGLPVMYCLLEAVSVYPEKLATKFVDKTEWIKSLMNNSKEEMRELAALFYSVVVSTVSGNELKSMIEQLIKTTKDNHSPEIQHGSLLALGFTVGRYLAKKKMRMSEQQDLERNADTLPDQEELIQSATETIGSFLDSTSPLLAIAACTALGEIGRNGPLPIPSEGSGFTKLHLVESLLSRIPSSKETNKMKERAIQTLGYFPVGDGDFPHQKLLLQGLMDSVEAKQIELQFTIGEAITSAAIGTSSVAARDAWQMTEEEYTPPAGAKVNDVVPWVLDVILNKHIISPNPHVRQAACIWLLSLVRKLSTHKEVKSHLKEIQSAFVSVLSENDELSQDVASKGLGLVYELGNEQDQQELVSTLVETLMTGKRVKHEVSGETVVFQGGALGKTPDGQGLSTYKELCSLASDLSQPDLVYKFMNLANHHAMWNSRKGAAFGFNVIATRAGEQLAPFLPQLVPRLYRYQFDPNLGIRQAMTSIWNALVTDKS-MV----DKYLKEILQDLVKNLTS--NMWRVRESSCLALNDLLRGRPLDDI-IDKLPEIWETLFRVQDDIKESVRKAAELALKTLSKVCVKMCDPAKGAAGQRTIAALLPCLLDKGMMSTVTEVRALSINTLVKISKSAGA-------------------MLKPHAPKLIPALLESLSVLEPQVLNYLSLRATEQEKAAMDSARLSAAKSSPMMETINMCLQYLDVSVLGELVPRLCELIRSGVGLGTKGGCASVIVSLTTQCP-QDLTPYSGKLMSALLSGLTDRNSVIQKSCAFAMGHLVRTSRDS-----STEKLLQKLNGWYMEKEEPIYKTSCALTIHAIGRYSPD-------VLKNHAKEVLPLAFLGM--HEIADEEKSEKEECNLWTEVWQENVPGSFGGIRLYLQELITITQKALQSQSW---------------KMKAQGAIAMASIAKQTSSLVPPYLGMILTALLQGLAG--RTWAGKEELLKAIACVVTACSAELEKSVPNQPSTNEILQAVLKECSK-ENVKYKIVAISCAADILKATKEDRFQEFSNIVIPLIKKNSLESSGVRTTKNEEENEKEKELQLEYLLGAFESLGKAWPRNAETQRCYRQELCKLMCERLKLS------------TWKVQLGVLQSMNAFFQGLMLLEEEHADPEALAEILLETCKSITYSLENK-TYSSVRTEALSVIELLLKKLEESKQWECLTSECRVLLIESLATMEP---DSRPELQEKAALLKKTLENLE 4XRI Chain:A ((113-869)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NSKAGQAAAQVIAAIAAIELPR--NQWPELMHALVRNASEGGQHQKQASLTAIGFICETQDTDLRNSLVGHSNAILTAVVQGARKEEPNNEVRFAAITALGDSLEFVGNNFKHEGERNYIMQVVCEATQAQDSRIQQGAFGCLNRIMALYYEHM--------RYYMEKALFGLTILGMKSDDEDVAKLAVEFWSTVCEEEIAIEDDNAQVESSEQMRPFYNFARVATNEVVPVLLQLLTKQDEDA------------SDDEYNISRAAY------QCLQLYAQAVGSTIIPPVIQFVEHNLRH-ADWHFRDAAVSAFGAIMDGPEEKVLEPIVKTGMQPLIAMMEDESIQVRDSTAYALGRITEACSEAIDPNTHLEPLIRSLFNGLMN-SP-KMAASCCWALMNIAERFAGEPGAAQNPLTPHFNQSVTNLLTVTAPMNGDS------TVRTAAYEVLSVFVQNAANDSLSAVASLSTVILQRLEETLPLQQQVVSVEDKLILEDMQTSLCTVLQATVQRLDKEIAPQGDRIMQVLLQILSTCGGKSSVPEGVFAAISALANAMEEEFA------KYMEAFAPFLYNALGNQEEPSLCSMAIGLVSDVTRSLGERSQPYCDNFMNYLLGNLRST-------T----------LANQFKPAILQCFGDIASAIGGHFETYLTIVAQVLQQAATITAGPDGSYEMIDYVISLREGIMDAWGGIIGAMKTSNKT----NVLQPYVESIFALLNSIANDPNRSEALMRASMGVIGDLADAYPNGQLADA----FRQDWITAMIRETRSNREFGARTIETARWAREQVK---

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 : 3349 -34954 -10.44 -51.33 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -10.44 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.174

(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: