Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNHVINFVLKNKFAVWLMTIIVTAAGLYAGMNMKQESIPDVNMPYLTISTTYPGATPSQVADEVTKPVEQAVQNLDGVSVVTSTSYENASSVMIEYDYEK--DMDKAKTEAAEALENVN--LPDDAKDPEIS-RYSLNSFPILTLSVSSDKDNLQE-LTKQVEDSLVSKLEGIEGVASVQVSGQQVEEVEFSFKEDKLKEYGLDEDTVKQVIQGSDVTTPLGLYTFGNEEKSVVVSGDIETIKDLKNMRIPTASASSAGSSAASQAGAQSAQAAQSAQAAAQVQQSASTAVPTVKLSDIATIK-DVKKAESVSRTNGKDSIGINIVKANDANTVEVADDVKAELKKFKEDH-KGFNYSATLDMAEPITQSVDTMLSKAIFGAIFAIVIILLFLRDIKSTLISVVSIPLSLLIALLVLQQLDITLNIMTLGAMTVAIGRVVDDSIVVIENIYRRMRLKDEPLRGKALVREATKEMFKPIMSSTIVTIAVFLPLALVGGQIGELFIPFALTIVFALAASLVISITLVPMLAHSLFKKSLTGAPIKAKEHKPGRLANIYKKVLNW------ALSHKWITSIIAVLMLLGS---LFLVPLIG---------ASYLPSEEEKTMQLTYSPEPGETKKEAENEAEKAEKILL--DRKHVDTVQYSLGSGSPLAGGDSNGALFYIKYESDTPDFDKEKDNVLKEIQKQSDRGEWKSQDF--------------SSSGNNNELTYYVYGDSENDIKDTVKDIEKIMKDEKDLKNVN-SGLSSTYDEYTFVADQEKLSKLGLTASQISQALMSQTSQEPLTTVKKDGKELDVNIKTEKDEYKSVKDLENKKITSATGQEVKIGDVAKVKEGSTSDTVSKRDGKVYADVTGEVTSDNVTAVSAAIQKKI-DKLDHPDNVSIDTGGVSADIADSFTKLGLAMLAAIAIVYLVLVITFGGALAPFAILFSLPFTVIGALVGLYVSGETISLNAMIGMLMLIGIVVTNAIVLID---RVIHKEAEGLSTREALLEAGSTRLRPILMTAIATIGALIPLALGFEGGSQVISKGLGVTVIGGLISSTLLTLLIVPIVYEVLAKFRKKKPGTEEE 3AOA Chain:A ((3-1019)) -----NFFIDRPIFAWVIAIIIMLAGGLAILKLPVAQYPTIAPPAVTISASYPGADAKTVQDTVTQVIEQNMNGIDNLMYMSSNS-DSTGTVQITLTFESGTDADIAQVQVQNKLQLAMPLLPQEVQQQGVSVEKSSSSFLMVVGVINTDGTMTQEDISDYVAANMKDAISRTSGVGDVQLFGSQYA-MRIWMNPNELNKFQL---------------TPVDVITAIKAQNAQVAAGQLGGTPPVKGQQL----------NASIIAQTRLTSTEEFGKILLKVNQDGSR----VLLRDVAKIELGGENYDIIAEFNGQPASGLGIKLATGANALDTAAAIRAELAKMEPFFPSGLKIVYPYDTTPFVKISIHEVVKTLVEAIILVFLVMYLFLQNFRATLIPTIAVPVVLLGTFAVLAAFGFSINTLTMFGMVLAIGLLVDDAIVVVENVERVM--AEEGLPPKEATRKSMGQIQGALVGIAMVLSAVFVPMAFFGGSTGAIYRQFSITIVSAMALSVLVALILTPALCATMLK-------------------------FGWFNRMFEKSTHHYTDSVGGILRSTGRYLVLYLIIVVGMAYLFVRLPSSFLPDEDQGVFMTMVQLPAGATQERTQKVLNEVTHYYLTKEKNNVESVFAVNGFGFAGRGQNTGIAFVSLKDWADRPG----EENKVEAITMRATRAFSQIKDAMVFAFNLPAIVELGTATGFDFELIDQAGLGHEKLTQARNQLLAEAAKHPDMLTSVRPNGLEDT-PQFKIDIDQEKAQALGVSINDINTTLGAAWGGSYVNDFIDRGRVKKVYVMSEAKYRMLPDDIGDWYVRAADGQMVPFSAFSSSRWEYGSPRLERYNGLPSMEILGQAAPGKSTGEAMELMEQLASKL--PTGVGYDWTGMSYQERLSGNQAPSLYAISLIVVFLCLAALYESWSIPFSVMLVVPLGVIGALLAATFRGLTNDVYFQVGLLTTIGLSAKNAILIVEFAKDLMDKEGKGLI--EATLDAVRMRLRPILMTSLAFILGVMPLVISTGAGSGA-QNAVGTGVMGGMVTATVLAI-----------------------

General information: TITO was launched using: RESULT: Template: 3AOA.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 : 5068 -404166 -79.75 -422.77 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -79.75 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.303

(partial model without unconserved sides chains): PDB file : Tito_3AOA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AOA-query.scw PDB file : Tito_Scwrl_3AOA.pdb: