Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAAAASASQDELNQLERVFLRLGHAETDEQLQNIISKFLPPVLLKLSSTQEGVRKKVMELLVHLNKRIKSRPKIQLPVETLLVQYQDPAAVSFVTNFTIIYVKMGYPRLPVEKQCELAPTLLTAMEGKPQPQQDSLMHLLIPTLFHMKYPVESSKSASPFNLAEKPKTVQLLLDFMLDVLLMPYGYVLNESQSRQNSSSAQGSSSNSGGGSGIPQPPPGMSFYAAKRVIGDNPWTPEQLEQCKLGIVKFIEAEQVPELEAVLHLVIASSDTRHSVATAADLELKSKQSLIDWNNPAIINKMYKVYLGDIPLKTKEGAVLKPELKRDPVSTRVKLKIVPHLLRSRQAAETFPANIQVVYDGLFGTNTNSKLRTLSLQFVHHICITCPEIKIKPLGPMLLNGLTKLINEYKEDPKLLSMAYSAVGKLSSRMPHLFTKDIALVQQLFEALCKEEPETRLAIQEALSMMVGAYSTLEGAQRTLMEALVASYLIKPEVQVRQVAVKFASTVFPSDHIPSRYLLLLAAGDPREEVHGEAQRVLRCLPGRNRKESTSEQMPSFPEMVYYIQEKASHRMKTPVKYMTGTTVLPFNPAAFGEIVLYLRMCLAHSAGVVPTSQSLADMQDHAPAIGRYIRTLMSSGQMAPSSSNKSGETNPVQIYIGLLQQLLAGVGGLPVMYCLLEAVSVYPEKLATKFVDKTEWIKSLMNNSKEEMRELAALFYSVVVSTVSGNELKSMIEQLIKTTKDNHSPEIQHGSLLALGFTVGRYLAKKKMRMSEQQDLERNADTLPDQEELIQSATETIGSFLDSTSPLLAIAACTALGEIGRNGPLPIPSEGSGFTKLHLVESLLSRIPSSKETNKMKERAIQTLGYFPVGDGDF-----PHQKLLLQGLMDSVEAKQ-------------------IELQFTIGEAITSAAIGTSSVAARDAWQMTEEEYTPPAGAKVNDVVPWVLDVILNKHIISPNPHVRQAACIWLLSLVRKLSTHKEVKSHLKEIQSAFVSVLSENDELSQDVASKGLGLVYELGNEQDQQELVSTLVETLMTGKRVKHEVSGETVVFQGGALGKTPDGQGLSTYKELCSLASDLSQPDLVYKFMNLANHHAMWNSRKGAAFGFNVIATRAGE-QLAPFLPQLVPRLYRYQFDPNLGIRQAMTSIWNALVTDKS-MVDKYLKEILQDLVKNLTSNMWRVRESSCLALNDLLRGRPLDDIIDKLPEIWETLFRVQD-DIKESVRKAAELALKTLSKVCVKMCDPAKGAAGQRTIAALLPCLLDKGMMSTV-----------------------------------TEVRALSINTLVKISKSAGAMLKPHAPKLIPALL-ESLS-VLEPQVLNYLSLRATEQEKAAMDSARLSAAKSSPMMETINMCLQYL-----DVSVLGELVPRLCELIRSGVGLGTKGGCASVIVSLTTQCPQD-L-TPYSGKLMSALLSGLT---------------DRNSVIQKSCAFAMGHLVRTSRDS---STEKLLQKLNGWYMEKEEPIYKTSCALTIHAIGRYSPDVLKNHAKEVLPLAFLGMHEIADEEKSEKEECNLWTEVWQENVPGSFGGIRLYLQELITITQKALQ----SQSWKMKAQGAIAMASIAKQTSSLVPPYLGMILTALLQGLA-GRTWAGKEELLKAIACVVTACSAELEKSVPNQPSTNEILQAVLKECSKEN-VKYKIVAISCAADILKATKEDRFQEFSNIVIPLIKKNSLESSGVRTTKNEEENEKEKELQLEYLLGAFESLGKAWPRNAETQRCYRQELCKLMCERLKLSTWKVQLGVLQSMNAFFQGLMLLEEEHADPEALAEILLETCKSITYSLENKTYSSVRTEALSVIELLLKKLEESKQWECLTSECRVLLIESLATMEPDSRPELQEKAALLKKTLENLE 3W3W Chain:A ((125-1060)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AWPELLQALIESLKSGNPNFRESSFRILTTVPYLITAVDINSILPIFQSGFTD-ASDNVKIAAVTAFVGYFKQLPKSEW----------------SKLGILLPSLLNSLPRFLDDGKDDALASVFESLIELVELAP-KLFKD----MFDQIIQFTDMVIKNKDLEPPARTTALELLTVFSENAPQMCKSNQNYGQTLVMVTLIMMTEVSIDDDDAAEWIESDDTDDEEEVTYDHARQALDRVALKLGG----------------------EYLAAPLFQYL-QQMITSTEWRERFAAMMALSSAAEGCAD--VLIGEIPKILDMVIPLINDPHPRVQYGCCNVLGQISTDFSPFIQRTAHDR-----------------------------------------------------ILPALISKLTSECTSRVQTHAAAALVNFSEFASKDILEPYLDSLLTNLLVLLQSNKLYVQEQALTTIAFIAEAAKNKFIKYYDTLMPLLLNVLKV-NSVLKGKCMECATLIGFAVGKEKFHEHSQELISILVALQNS---DALRSYLEQSWSRICRILGDDF--------VPLLPIVIPPLL-ITAKATQDVGLIEEEEAANFQQYPDWDVVQVQGKHIAIHTSVLDDKVSAMELLQSYATLLRGQFAVYVKEVMEEIALPSLDFYL-------------------HDGVRAAGAT------LIPILLSCLLAAEELVLLWHKASSKLIGGLMSEPMPEITQVYHNSLVNGIKVMGDNCLSEDQLAAFTKGVSANLTDTYERMQDRDEYNEDFTDEDLLDEINKSIAAVLKTTNGHYLKNLENIWPMINTFLL--EP-ILVIFALVVIGDLIQY--EQTASMKNAFIPKVTECLISPDA------RIRQAASYIIGVCAQYAPSTYADVCIPTLDTLVQIVDGSKLEENRSSTENASAAIAKILYAYNSNIP---DTYTANWFKTLPTITDKEAASFNYQFLSQ--------VC----AQSNISAVVDSVIQALNERSL-----TVISSVKKLLGFLPSSDAMA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3W3W.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 : 3867 -150803 -39.00 -189.69 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -39.00 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.220

(partial model without unconserved sides chains): PDB file : Tito_3W3W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3w3w-query.scw PDB file : Tito_Scwrl_3W3W.pdb: