Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------MKKLVAGLLTAVA--------LLAMSAC---GADQKNTAQTSSSTKESAEVSSGASEQVYTDPKEMKESYDVVIIGAGGAGMAAAIEAKDAGLNPVILEKMPVAGGNTSKSSSGMNASETKFQKEEGIKDSNDAFYEETLKGGGGTNDKEMLRYFVDHSADAVDWLDQNGIKLDNLTITGGMSEKRTHRPSDGSAIGGYLVEGLLNNVHEREIPIFVNADVTDIKKNGE-TVNEVTVHVQGEEPKEVTGKAIVVTTGGFGASKEFIEKYRPDLADYITTNQEGSTGDGITMIEKLGGQTVDMDKIQIHPTVQQDEGVLIGEVVRGEGAILVDQEGKRFVNEMDTRDKVSAAITALPEKSAYLIFDQGVRDRATAIEFYDQKGYVTTGKTMEELAEKIDLPKETLAKTVDGWNTDVAEKKDAQFNRATAMEHDLSSPNYYAIKIAPGIHYTMGGVKINTNTEVLDKENQPIRGLYAAGEVTGGLHGNNRIGGNSVAEIIIFGRQAGIQAARFASENE 1JRX Chain:A ((1-568)) ADNLAEFHVQNQECDSCHTPDGELSNDSLTYENTQCVSCHGTLAEVAETTKHEHYNAHASHFPGEVACTSCHSAHEKSMVYCDSCHSFDFNMPYAKKWLRDEPTIAELAKDKSERQAALASAPHDTVDVVVVGSGGAGFSAAISATDSGAKVILIEKEPVIGGNAKLAAGGMNAAWTDQQKAKKITDSPELMFEDTMKGGQNINDPALVKVLSSHSKDSVDWMTAMGADLTDVGMMGGASVNRAHRPTGGAGVGAHVVQVLYDNAVKRNIDLRMNTRGIEVLKDDKGTVKGILVKGMYKGYYWVKADAVILATGGFAKNNERVAKLDPSLKGFISTNQPGAVGDGLDVAENAGGALKDMQYIQAHPTLSVKGGVMVTEAVRGNGAILVNREGKRFVNEITTADKASAAILAQTGKSAYLIFDDSVRKSLSKIDKYIGLGVAPTADSLVKLGKMEGIDGKALTETVARYNSLVSSGKDTDFERPN-LPRALNEGNYYAIEVTPGVHHTMGGVMIDTKAEVMNAKKQVIPGLYGAGEVTGGVHGANRLGGNAISDIITFGRLAGEEAAKYS----

General information: TITO was launched using: RESULT: Template: 1JRX.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 : 2845 126975 44.63 254.46 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 44.63 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_1JRX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JRX-query.scw PDB file : Tito_Scwrl_1JRX.pdb: