Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGLKHLEDVTYFRLNNEINRPVNGQIMLHKDKEALDAFFKENVVPNTMVFDSIKDKINYLIEHNYIETAFIKKYRPEFLEELAQFIKDQNFQFKSFMAAYKFYNQYALKTNDGEYYLENMEDRVFFNALYFA-----DGNEAVAIDIANEIIHQRYQPATPSFLNAGRARRGELVSCFLIQVTDDMNSIGRSINSALQLSRIGGGVGITLSNLREAGAPIKGYEGAASGVVPVMKLFEDSFSYSNQLGQRQGAGVVYLNVFHPDIIAFLSTKKENADEKVRVKTLSLGVVVPDKFYELARKNEEMYLFSPYSV---EKEYGVPFNYIDITEKYDELVANPNIRKTK-IKARDLETEISKLQQESGYPYVVNIDTANRANPVD--GKIIMSNLCSEILQVQEPSLINDAQEFLQMGTDVSCNLGSTNVVN-----MMTSPDFGRSIRAMVRALTFVTDSSHIVAVPTIDHGNSQAHTFGLGAMGLHSYLAQQLIEYGSPESVEFTSIYFMLMNYWTLVESNNIARERGITFHNFEKSDYANGSYFDKYVTGEFVPTSDRVKELFK-------NVFIPGVADWAELRDKVQEDGLYHQNRLAVAPNGSISYINDVSASIHPITQRI----------------EERQEKKIGKI---------YYPAAGLSTETIP-----YYTSAYDMDMRKVIDVYAAATEHVDQGLSLTLFMRSDIPKGLYEWKRENKQTTRDLSILRNYAFNKGIKSIYYVRTFTDDGGEVGANQCESCVI 5IM3 Chain:A ((280-909)) ------------------------------------------------------------------------------LEKLGKAIDHERDQQFTYLGLQTLYDRYFIHKDGIRFELP----QIFFMRVAMGLAIEEKDREARAIEFYNLLSSFDYMSSTPTLFNAG-TLRPQLSSCYLTTVPDDLSGIYGAIHDNAMLSKFAGGLGNDWTPVRALGSYIKGTNGKSQGVVPFLKVVNDTAVAVN-------AVCAYLETWHLDIEEFLELRKNTGDDRRRTHDMNTANWIPDLFMKRVFDDGSWTLFSPSDVPDLHDLYGKAFE--ERYEYYEALASYGKLKLHKVVQAKDLWRKMLSMLFETGHPWLTFKDPCNLRSPQQHVGVVHSSNLCTEI------TLNTNKDEI------AVCNLGSINLVNHIVDGKLDTAKLEKTVKTAVRMLDNVIDINY-YSVPQAQNSNFKHRPVGLGIMGFQDALYLQHIPYGSDAAIAFADQSMEAISYYAIQASCDLADERG-AYQTFQGSLWSQG----------ILPI-DSEKKLIEERGAKYIEVDLSETLDWAPLRERVQK-GIRNSNIMAIAPTATIANITGVSQSIEPTYQNLYVKSNLSGEFTVINPYLVRDLKARGLWDPVMVNDLKYYDGSVQQIERIPQDLKDLYATAFEVETRWIVEAASRRQKWIDQAQSLNLYIAG--------------ASGKKLDVTYRMAWFRGLKTTYYLRAL-----------------

General information: TITO was launched using: RESULT: Template: 5IM3.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 : 3081 79558 25.82 139.58 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 25.82 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_5IM3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IM3-query.scw PDB file : Tito_Scwrl_5IM3.pdb: