Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKWREPLLIDVNKFESMQIGLASPEKIRSWSYGEVKKPETINYRTLKPEREGLFCERIFGPTKDWECACGKYKRIRYKGIVCDRCGVEVTRSKVRRERMGHIELAAPVSHIWYFKGIPSRMGLVLDMSPRALEEIIYFASYVVIEPGNTNLEKKQLLTEREYREKREQYGQEFQAAMGAEAIKQLLDNVDLDAEAAELKEELKSAQGQKRTRAIRRLDILEAFRASGNQPSWMVMDVIPVIPPDLRPMVQLEGGRFATSDLNDLYRRVINRNNRLKRLLDLNAPGIIVQNEKRMLQEAVDALIDNGRRGRPVTGPG-NRPLKSLSHMLKGKQGRFRQNLLGKRVDYSGRSVIVVGPFLKMYQCGLPKEMAIELFKPFVMRELVQRELASNIKNAKRKIERQ---EDEVWDVLEDVIKEHPVLLNRAPTLHRLGIQAFEPVLVQGRAIRLHPLVCEAYNADFDGDQMAVHVPLNEEAQAEARMLMLAAQNILNPKDGKPVVTPSQDMVLGNYYLTMEEEGREGEGMVFRDQNEAVIAWRNGYVHLHSRIGV--NPNSLGEKPFTEWQKERTMITTVGKII-FNEIMPPEFPYLNEPTDFNLTVQTPDKYFVEAGTDIPAHIKEQELVLPFKKKNLGNIIAEVFKRFKVTETSKMLDRMKDLGYKHSTHAGITVGIADISVLNEKQEIIENAHKQVETITKQFRRGLITDDERYERVIAVWNAAKDSIQQKLMEGLEAK---NPIFMMSDSGARGNISNFTQLAGMRGLMAAPNGRIMELPIISNFREGLSVLEMFISTHGARKGMTDTALKTADSGYLTRRLVDVAQDVIIREEDCGTDRGLEIQAIREGNEIIESLE-----DRLVGRYTRKEVRHPETNELIIAGNQLISEDIAKQIVDAG----VETVTIRSVFTCNTKHGVCKHCYGRNLATGSDVEVGEAVGTIAAQSIGEPGTQLTMRTFHTGGVAGDDITQGLPRVQEIFEARNPKGQAVITEVTGDVIDISEDPATRTK-EVTIKGKTDTRTYTVPYTARMKVAEGDMIHRGAPLTEGSIDPKQLLQVRDVLSVENYLLREVQRVYRMQGVEIGDKHIEVMVRQMLRKVRVMDPGDTDILPGTLLDIADFKDQNYNTLVSGGVPATSRPVLLGITKASLETNSFLSAASFQETTRVLTDAAIRGKKDPLLGLKENVIIGKIIPAGTGMQRYRDMEPKEVGVASENVYSISDIEAQMAAEDAMNNQTK 3AOI Chain:N ((451-1477)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------DIDARMGAEAIQQLLKELDLEALEKELLEEMKHPSRARRAKARKRLEVVRAFLDSGNRPEWMILEAVPVLPPDLRP-----------SDLNDLYRRLINRNNRLKKLLAQGAPEIIIRNEKRMLQEAVDALLDNGRRGAPVTNPGSDRPLRSLTDILSGKQGRFRQNLLGKRVDYSGRSVIVVGPQLKLHQCGLPKRMALELFKPFLLKKMEEKGIAPNVKAARRMLERQRDIKDEVWDALEEVIHGKVVLLNRAPTLHRLGIQAFQPVLVEGQSIQLHPLVCEAFNADFDGDQMAVHVPLSSFAQAEARIQMLSAHNLLSPASGEPLAKPSRDIILGLYYITQVRKEKKGAGLEFATPEEALAAHERGEVALNAPIKVAGRETSVGRLKYVFANPDEALLAVAHGIVDLQDVV--TVRYMGKRLETSPGRILFARIVAEAVEDEKVAWELIQLDVPQEKNSLKDLVYQAFLRLGMEKTARLLDALKYYGFTFSTTSGITIGIDDAVIPEEKKQYLEEADRKLLQIEQAYEMGFLTDRERYDQILQLWTETTEKVTQAVFKNFEENYPFNPLYVMAQSGARGNPQQIRQLCGLRGLMQKPSGETFEVPVRSSFREGLTVLEYFISSHGARKGGADTALRTADSGYLTRKLVDVTHEIVVREADCGTTNYISV-PLFQPDEVTRSLRLRKRADIEAGLYGRVLAREVEVLGVRLEEGRYLSMDDVHLLIKAAEAGEIQEVPVRSPLTCQTRYGVCQKCYGYDLSMARPVSIGEAVGIVAAQSIGEPGTQLT------------DITQGLPRVIELFEARRPKAKAVISEIDG-VVRIEE---TEEKLSVFVESEGFSKEYKLPKEARLLVKDGDYVEAGQPLTRGAIDPHQLLEAKGPEAVERYLVEEIQKVYRAQGVKLHDKHIEIVVRQMMKYVEVTDPGDSRLLEGQVLEKWDVEALNERLIAEGKTPVAWKPLLMGVTKSALSTKSWLSAASFQNTTHVLTEAAIAGKKDELIGLKENVILGRLIPAGTG----------------------------------------

General information: TITO was launched using: RESULT: Template: 3AOI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain N - contact count / total energy / energy per contact / energy per residue : 4559 114335 25.08 116.31 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain N : 0.80 3D Compatibility (PKB) : 25.08 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_3AOI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AOI-query.scw PDB file : Tito_Scwrl_3AOI.pdb: