Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASRPVLATGITTELKIRGKSMNILTDKAHYESHLEAYIVQKLQAQGWVVGQSKNYHTEYALYPEDLITWIQATQPEKWEKLQALNGSNTEKRIIDRLDDELNKKGTIHIFRNGFSMAGAGTIDLSESAPEDGRNQAVIDRYNANILRVVPQLKYHPSKDA---GILDLVFFINGLPMATVEIKTEFNQSLEDAIEQYKNDRKPIDPKTRRKEPLLTPKRGAIVHFALSESEIAMTTALDGESTYFLPFNKGNQGHAGNPPADVAKGEDYPVAYFWDYVCQRDNWLKIFHNFVYVEKKNKVDLYGNWTVQERLIFPRYHQFDAVNKIIADVQEKGVGLNYLCEHSAGSGKTSTISWVCHSLVRLRH--NDGTPFYNSVIVVTDRTVLDNQLQEAIQQLDHQKGLIAAINRDDKEHAGKSKSKQLEDALLSNKQIIIVTIQTFPHVMEAILTNTSLSDRNYGIVIDEAHTSQTGSTASKLQATLALQSGEAMANLTVEELLEQIQKARVQSKNISHFAFTAT-PKHSTKMLFGRTKNG---EPASDDNLPEPFHLYPQRQAIE-EGFILDVLQGYVPYKTAFKLGGEAVDDDKRVNSKAAKKALARWMALHATNVTQKVQFIIQHFHHNVANLLNGQAKAMIVTSSRPAAARYKIALEKYIDDNPEYSAYRVLVAFSGKLTGKQISHEADGDSENGVLFQVGEDAEF---TEANMNADAPNSDLRIAFDRPEYRLMVVANKFQTGFDQPKLCAMYIDKVIANEVEVVQTLSRLNRTTTGKDQTFV-IDFVNDPEWILKCFKKYDNGAKMVDVQDPNVVYTIKDNIEELDLITEDDLEEFKAARFKTIRDISNHDFKETTHPDLFKATDRVARLFNQKLKMLKQAIELQETAFDQAKADGNDEGAEKAEFERKQLDVELQTLMRFKGNLDKFSRIYSYVAQLIDFGDPELENFSAFTKLLSKRLNGMSAKEIDISGLVLTGFGIFKKKLKTDDTDHPEADEPQPLAPIQGTANGDLQPTKMTYLKEVIELIAQTFGDISTREEQVVYINHLVTILRNNDVV--MAQIENNPESTALQGNLPSATKGAIIQALTSHQDLSALLLKTDAQAMQNVIKVLYKLLKDGETIDVHRLT 5AWH Chain:A ((20-778)) --HMQLVSNGFEVNLP---DQVEVIVRDLPDPSKVKEERTRLMGYWFVHWFDGKLFHLRIKAGGPNV-------DGEHRAIRTAEHPWLLRARLDDALEEALPKYAAVK--KRPFTFLAQKDELIDAAATAAGLSHRLLNS-----FKVIPRFALSPKIYEPVDGTTRVGVFV------TIGMRYDIEASLRDLLEA------------------------------------------------------------------------------------------------------GIDLRGMYVVRRK------------------------------RQPGERGLLGRVRAISDDMVQLFEETDLASVNVNDAKLEGSKENFTRCLSALLG-----HNYKKLLNALDDQEAGYRTGPRFDDAVRRMGEFLA-------------KKPIRLADNINAQVGDRIVFSNEG------------------------------QARNVRLAPKVEYVFDRTGAKSAEYAWRGLSQFGPFDRPSFANRSPRILVVYPSSTQGKVENFLSAFRDGMGSNYSGFSKG------------------FVDLMGL------TKVEFVMCPVEVSSAD-------------RNGAHTKYNSAIEDKLAGAGEVHAGIVVL---------FEDHARLPDDRNPYIHTKSLLLTLGVPTQQVRMPTVLLEPKSLQYTLQNFSIATYAKLNGTPW------TVNHDKAINDELVVGMGLAELSGSRTEKRQRFVGITTVFAGD-----------GSYLLGNVSKECEY--EGYSDAIRESMTGILRELKKRN-------------------NWRPGDTVRVVFHAHRPL--KRVDVASIVFECTREIGSD-------QNIQMAFVTVSHDHPFV---------------LIDRSERGLEAYKG-----STARKGVFA----PPRGAISRVGRLTRLLAVNSPQLIKRANTPLPTPLLVSLHPD------STFKDVDYLAEQALKFTSLSWRSTLPAATPVTIFYSERIAELLGRLKSIPNWSSAN--------------LNIKLKWSRWFL------------------------------

General information: TITO was launched using: RESULT: Template: 5AWH.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 : 3971 168702 42.48 227.05 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 42.48 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.157

(partial model without unconserved sides chains): PDB file : Tito_5AWH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AWH-query.scw PDB file : Tito_Scwrl_5AWH.pdb: