Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MEEKKMKRFVRMGIDVGGTH----TKAVAIDNATHEIIGKSSV------KTTHDDVRGVAAGVVQSFQNCLRENNISPEDVVFVAHSTTQATNALIEGDVAKVGVIGMAKGGLEGFLAKRQTRLNDIDL--GNKKKIEIVNAFLPVKHLNVDRVSETIS--SLERERAEVLVSSMAFGVDNGEPERVVYEAASVKSIPTTMASDITKLYGLTRRTRTAAINASILPKMLDTATSTEDSVREAGVNVSLMIMRGDGGVMEINEMKKRPVLTMLSGPAASVMGSLMYLRASNGVYFEVGGTTTNIGVIKNG-------RPAID-YSIVGGHPTYISSLDVRVLGVAG--GSMVRANQSGIIDVGPRSAHIAGLDYAVFTE-TEKIKGPKVEFFSPKEGDPADYVKVVMEDGEEVTITNTCAANVLGLVQEEHFSYGNVPSARKAIQALADYCHTTVEDIAEQIMEKSYAKIEPVILELADKYHLEKDQISLVGVGGGAASLITYFSNKMGVKYSIPENAEVISSIGVALAMVRDVVERIIPSPSKEDIRSLKNEAMNKAIESGATPESIEVHVEIDPQTSKVTAIATGSTEVKATDLTKEI--TTEEALELA--------AEDMRLNKNEVCLLENTPFFYVCGEQNRSKNAGSLRIIDQKGFIKVQRGHASCMKTTAANYMTAVEQLWEDMAVYQTELIARPEFYLCLGARVSDFTATDLEQLQLLMDLEVSTMEPEEEVIVVAGNIKQT---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3QMZ Chain:A ((1364-4092)) EFVIEKSLNRIKKFWKEAQEHSSGLKLVREWDVLEQACKEDLEELVSMKASNYYKIFEQDCLDLESKLTKLSEIQVNWVEVQFYWLDLYGILGENLDIQNFLPLETSKFKSLTSEYKMITTRAFQLDTTIEVIHIPNFDTTLKLTIDSLKMIKSSLSTFLERQRRDDLLKIIGSGKHHDQVSKFMKKMFGSDFITGVRSVEAQEWLNILDTEIKLSVFTQFRDCLGQLKDGTDIEVVVSKYIFQAILLSAQVMWTELVEKCKYWKEVDMKIKGLLDKLNKSDNVKKKIEALLVEYLHFNNVIGQRLLWAKVQKFYLNSVFISQSGYLLLIGFATLTDSLHQKYGGCFFGPAGTGKTETVKAFGQNLGRVVVVFNCDDSFDYQVLSRLLVGITQIGAWGCFDEFNRLDEKVLSAVSANIQQIQNGLQVGKSHITLLEEETPLSPHTAVFITLLPENLKKSFREFSMKSQSGTIAEMILQIMGFEDSKSLASKIVHFLELLSSKCSSMNH-----YHFGLRTLKGVLRN--CSPLISEFGEGEKTVVESLKRVILPSLGDTDELVFKDELSKSKAIVQCLKDAGE-----EFLKKCMQFYYMQKTQQALILVGKAGCGKTATWKTVIDAMAIFDGHANVVYVIDTKVLTKESLYGSMLKAT------LEWRDGLFTSILRRVNDDITGTFKNSRIWVVFDSDLDPEY-----VEAMNSVLDDNKGERLPIPPNFRILFETDNLDHTTPA--TITRCGLLWFSSKIDHLLNKSYEALD----NKLSMFELDKLK-DLISDSFDMASLTNIFTCSN--VRTFNKLETAVQLAVHLISSYRQWFQNLDDKSLKDVITLLIKRSLLYALAGDSTGESQRAFIQTINTYFGHDSQELSDDKLSFSSFCSEIPSVSLEAHEVMRPDIVIPTIDTIKHEKIFYDLLNSKRGIILCGPPGSGKTMIMNNALRNSSLYDVVGINFS--KDTTTEHILSALHRHTNYVIKNLVLFCVVLFLRQLMEKQGFWKTPENKWVTIERIHIVGACNPPTD----PGRIPMSERFTRHAAIYPSGKSLSQIYEIYYKAIFKLVPEFRSYTEPFARASVHLYNECKARYSTGLQSHYLFSPRELTRLVRGVYTAINTGPRQTLRSLIRLWAYEAWRIFAVKEKNSFEQLLYETVDKYLPNQDLGNISSTNKTDLVNFIEERFKTFCDEEPMVIHESMVDHILRIDRALKQVQGHMMLIGASRTGKTILTRFVAWLNGLKIVQPKIHRHSNLSDFDMILKKAISDCSLKESRTCLIIDESNILETAFLERMNTLLANDLFQGEEYDKLLNNLRNKTRDTEQELYDWFVGEIAKNLHVVFTICDPTNNKSSAMISSPALFNRCIINWMTKTMSQVANNMVDVVPMEFTDFIVPEVNKELVFTEPIQTIRDPGYFIDGLRALVKLVTAKYQDLQENQRFVNVGLEKLNESVLEASISLVKSLTFEKERWLNTTKQFSKTSQELIGNCIISSIYETYFGHLNERERGDMLVILKRLLGKFAVKYDVNYRFIDYLVTLDEKMKWLECGYFLENMSIVMNSQVPFLLDPSSHMITVISNYYGNKTVLLSFLEEGFVKRLENAVRFGSVVIIQDGEFFDPIISRLISREFNRVTVEIGDHEVKLFIHSCDPSGDIPIFLRSRVRLVHFVTSIETRIFDITLTEENAEMQRKREDLIKLNTEYRLKLKNLEKRLLEELNNDELMVTLNNLKKEAMNIEKKLSESEEFFPQFDNLVEEYSIIGKHSVKIFSMLEKFGQFHWFYGISIGQFLSCFKRVFIKTRAARTRVDEILWLLYQEVYCQFSTALDKKFKMIMAMTMFCLYKFDIESEQLTVDTNDDLRYLWDYVTTKSYISALNWFKNWNIADVVANSENNYFTMASEDGTFKLIELAKASKESLKIIPLGSIENLNYAQEEISKSKIEGGWILLQNIQMSLSWVKTYLHKHVEETKAAEEKMFMTCHLTGDKLPAPLLQRTDRVVYEDIPGILDTVKDLWGSQFFTGSGVWSVYCTFLLSWFHALITARDCDFQFASVYLENVLAPWAQVRDHIATIVYGGKIDEEKDLEVVAKLCAHVFCDNLQIVPGVRIPQPLLQQSEEEERARLTAIADSLSSWLQLPRESILDYERLQAKEVASSTEQLLQEM

General information: TITO was launched using: RESULT: Template: 3QMZ.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 : 2524 27681 10.97 40.95 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 10.97 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.040

(partial model without unconserved sides chains): PDB file : Tito_3QMZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QMZ-query.scw PDB file : Tito_Scwrl_3QMZ.pdb: