Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGCTVKPQLLLLALVLHPWNPCLGADSEKPSSIPTDKLLVITVATKESDGFHRFMQSAKYFNYTVKVLGQGEEWRGGDGINSIGGGQKVRLMKEVMEHYADQDDLVVMFTECFDVIFAGGPEEVLKKFQKANHKVVFAADGILWPDKRLADKYPVVHIGKRYLNSGGFIGYAPYVNRIVQQWNLQDNDDDQLFYTKVYIDPLKREAINITLDHKCKIFQTLNGAVDEVVLKFENGKARAKNTFYETLPVAINGNGPTKILLNYFGNYVPNSWTQ-DNGCTLCEFDTVDLSAVDVHPNVSIGVFIEQPTPFLPRFLDILLTLDYPKEALKLFIHNKEVYHE---KDIKVFFDKAKHEIKTIKIVGPEENLSQAEARNMGMDFCRQDEKCDYYFSVDADVVLTNPRTLKILIEQNRKIIAPLVTRHGKLWSNFWGALSPDGYYARSEDYVDIVQGNRVGVWNVPYMANV----YLIKGKTLRSEMNERNYFVRDKLDPDMALCRNAREM-GVFMYISNRHEFGRLLSTANYNTSHYNNDLWQIFENPVDWKEKYINRDYSKIFTENIV--EQPCPDVFWFPIFSEKACDELVEEMEHYGKWSGGKHHDSRISGGYENVPTDDIHMKQVDLENVWLHFIREFIAPVTLKVFAGYYTKGFALLNFVVKYSPERQRSL--RPHHDASTFTINIALNNVGEDFQGGGCKFLRYNCSIESPRKGWSFMHPGRLTHLHEGLPVKNGTRYIAVSFIDP 4IUW Chain:A ((4-633)) ----LPRIQDDLYLAVNGEWQAK--------TPIPPDKSVVSADSNLTDDIRQKLVADLSTMTKTAK---------------TLPLQYAARLFAKANDQTRRQQLGIEPVRDRISFLMALTT---LDQFRSAMPKLVADQYVLPISPYVDADMHDAEHNILNLGGPDTILPDAAMYNQ-----EDAENAADLAAWSQMAAAMLAA--VGFSQTDQTAYVEAAKRFDRRLADYVPANVDLAVDSTYDN----------------------PLSWQAFEDAAGYLGIPQAFATYMPQTPAKVNAV----VPAYLPHLSKLLTPDNYSEWHAWMVINELLTCATYLSDDLRQLAGQYDRFLAGQPEASSWTKHAFGIANEYFDDVIGQYYGQTY-FGADAKADVT--AMVKQILAQYRVQLEN----------NTWLSPATKQKAMRKLATMQVKMGYPARLFSLYDHLSVDVDDDLLTAILKLSAQTQAFWFKQLGQTVD----RNQWNMPGHLVNASYDPLKNDITFPAGILQPPYYSLKWTRAENLGG-TGATIGHEISHSFDNNGALYDEYGNLHNWWTPADKQAFDQLVKAMAA--QFDGRDYEGVKVNGTL----TVSENMADNAGMDVALALLGDQPDVKDLQAFFITYARSWA-----TKMRPERAKTVLRQDVHAPATLRVNVPVQNFPAWYQAFNVQ----------PQDGMYRQPQKRLTIWHQ------------------

General information: TITO was launched using: RESULT: Template: 4IUW.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 : 3249 -5408 -1.66 -8.76 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -1.66 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.166

(partial model without unconserved sides chains): PDB file : Tito_4IUW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IUW-query.scw PDB file : Tito_Scwrl_4IUW.pdb: