Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKLTARFDLEDKVSKKLKRIHKGFQEVEKKVKTINRQIKISIRAEDQAFYRLRKINDYIILKFAKSLEIKVVLDDQVTSKLDAIERKLKRLPKETKLTVSLVDRTAAAYKKIKKMLSNQKLSFLLIPDDKVTSTVKRIIGYIKKNLKNGYTVKLKVIDEITKTVNRLTALLRKFEKTYYVKVVVKTKISDKINKKESLINKETSKKESDKSSDKG-SDKNSDQKPGWVGKIKGWLKDWWTKSAWPWIKDTLNEIGKAFLDRFKERLIEKLKNDVFDKIIDKILGPQKKDDSGENSDTDKKVLNRNTGGNCCCDCCEGGISPGTKNKKTYRKKKSPTKAPNRTLKVPGEVIRRRQSGTPAESAPRTSGSKLKNWLGGLKSLGKDSSKLGKAFRGMGKAVPYVGSALAVFDLAGINKDNAGEKVGSIGGRIAGAEAGATAGAEAGATIGSFVGPEGTAIGGAIGGIGGGLVGGIGGEEAGKNIGKMFDTSKLKESISNSLFNKEWWSGKWNSISDTANGAITWIEDTWSKVSTWFDQYVFTPIYNVAVPVINFIVGLFA-YAWDGILAVWNIVYPWFKDNVWDPISGAVTNVATTIWTGLCNAWTVISGIWSTVSTWFMDNVWNPVSEAVTTAATWIWSKINDAWTIISNIWTGVSNWFYDNVWNPIVKKVEDIKTSIKEKFDDARKFFEDAWDGIETWFNEHVKDPLVKVSEKIAEKFQWLFDLKDSVGGFVAKVIHRGEEVTHLKKKPIKKDSKEKKTSSKPTTNNIFAQSPSNNNMTVFQQALDQNATGGYITKPTISWIGEAGKEFVI--PVDNNRGRGKMLLSQAASKLGMQVVDDMGAASSSGGSPA-SVSGGAAVSPLSGTASPVMNTANLTG-QASTLGQQFSEGFGKGISDQPVKMEDWKKKNINTPFTQMISASPNYGKQMVSGYAKGQSGTATGTDGFLQSKVKTPFQATVSKSSSWGTGTVKGFAQGQNSTQTGTAQYVSTHVDKPFLRSKDTSNSWGSGLIGNFVTGMNSKSSEVKQAAKDMAKRVEQAFREELDIHSPSRVMMSLGRFASVGVVKGLDSVDVKKYAEKQAGSLAAAYSGMGAVGGNVKQWLMAAIMATKTPLSWLSGLMTIAQYESGGNPNSINLWDSNAKAGNPSQGLMQTVPTTFNAHKAPGMGNIRNPIHNAAAAIGYIKSRYGSIDNVPGIKSLKRGGPYVGYANGGLITKEQIARVGEGNKREWIIPEERGIRGRYLLQRAAQALGMEVTDPSQSQQSELSSGQVSAVTSASRPTAAVSGSKEIYIQFNGDQHFHNGQDAESLAAKIKQALIDELQKDINIGTKGVVAFD 3W3W Chain:A ((3-1077)) --------ALPEEVNRTLLQIVQAFASDNQIRSVAEKALSEEWITEN----NIEYLLTFLAEQAAFSQDTTVAALSAVLFRKLALKAPITHIR----------------KEVLAQIRSSLLKGFLSERADSIRHKLSDAIAECVQD-----------------DLPAWPELLQALIESLKSGNPNFRESSFRILTTVPYLITAVDINSILPIFQSGFTDASDNVKIAAVTAFVGYFKQL-PKSEWSK----LGILLPSLLNSL-PRFLDDGKDDALASVFESLIELVEL-------------------------------------------------APKLFKDMFDQIIQFTDMVIKNKDLE---PPARTTALELLTVFSENAPQMCKSNQNYGQTLVMV--TLIMMTEVSIDDDDAAEWIES-DDTDDEEEVTYDHARQALDRVALKLG--------------------------GEYLAAPL-FQYLQQMITSTEWRERFAA--MMALSSAAEGCADVLIGEIPKILDMVIPLINDPHPRVQYGCCNVLGQISTDFSPFIQRTAHDRILPALISKLTSECTSRVQTHAAAALVNFSEFAS------KDILEPYLDSLLTNLLVLLQSNKLYVQEQALTTIAFIAEAAKNKFIKYYDTLMPLLLNVLK-VNSVLKGKCMECATLIGFAVG--KEKFHEH-SQELISILVALQNSDALRSYLEQSWSRICRIL---GDDFVPLLPIVIPPLLITAKATQD-------------------VGLIEEEEAANFQQYPDWDVVQVQGKHIAIHTSVLDDKVSAMELLQSYATLLRGQFAVYVKEVMEEIALPSLDFYLHDGVRAAGATLIPILLSCLLAAEELVLLWHKASSKLIGGLMSEP-----------------MPEITQVYHNSLVNGIKVMGDNC-------------------------LSEDQLAAFTKGVSANLTDTYERMQ---DRDEYNEDFTDEDLLDEINKSIAAVLKTTNGHYLKNLENIWPMINTFLLEPILVIFALVVIGDLIQYEQT--------------ASMKNAFIPKVTECLISPDARIRQAASYIIGVCAQYAP-----------------------------STYADVCIPTLDTLVQIVDGSKLEENRSSTENASAAIAKILYAYNS--NIP-----------------------------DTYTANWF--------KTLPTITDKEAASFNYQFLSQVCAQSNISAVVDSVIQALNE-----RSLTVISSVKKLLGFLPSSDAMAIFNRYPADIMEKVHKWF-----------

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 : 5000 -436019 -87.20 -426.63 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -87.20 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.271

(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: