Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLVAGLLTAVALLAMSACGADQKNTAQTSSSTKESAEVSSGASEQVYTDPKEMKESYDVVIIGAGGAGMAAAIEAKDAGLNPVILEKMPVAGGNTSKSSSGMNASETKFQKEEGIKDSNDAFYEETLKGGGGTNDKEMLRYFVDHSADAVDWLDQNGIKLDNLTITGGMSEKRTHRPSDGSAIGGYLVEGLLNNVHEREIPIFVNADVTDIKKN--GETVNEVTVH-VQGEEPKEVTGKAIVVTTGGFGASKEFIEKYRPDLADYITTNQEGSTGDGITMIEKLGGQTVDMDKIQIHPTVQQDEGVLIGEVVRGEGAILVDQEGKRFVNEMDTRDKVSAAITALPEKSAYLIFDQGVRDRATAIEFYDQKGYVTTGKTMEELAEKIDLPKETLAKTVDGWNTDVAEKKDAQFNRATAMEHDLSSPNYYAIKIAPGIHYTMGGVKINTNTEVLDKENQPIRGLYAAGEVTGGLHGNNRIGGNSVAEIIIFGRQAGIQAARFASENE 1KSU Chain:A ((118-568)) -------------------------------------------------ALASAPHDTVDVVVVGSGGAGFSAAISATDSGAKVILIEKEPVIGGNAKLAAGGMNAAWTDQQKAKKITDSPELMFEDTMKGGQNINDPALVKVLSSHSKDSVDWMTAMGADLTDVGMMGGASVNRAHRPTGGAGVGAHVVQVLYDNAVKRNIDLRMNTRGIEVLKDDKGT-VKGILVKGMYK-GYYWVKADAVILATGGFAKNNERVAKLDPSLKGFISTNQPGAVGDGLDVAENAGGALKDMQYIQAHPTLSVKGGVMVTEAVRGNGAILVNREGKRFVNEITTRDKASAAILAQTGKSAYLIFDDSVRKSLSKIDKYIGLGVAPTADSLVKLGKMEGIDGKALTETVARYNSLVSSGKDTDFERPN-LPRALNEGNYYAIEVTPGVHYTMGGVMIDTKAEVMNAKKQVIPGLYGAGEVTGGVHGANRLGGNAISDIITFGRLAGEEAAKYS----

General information: TITO was launched using: RESULT: Template: 1KSU.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 : 3127 43052 13.77 96.10 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : 13.77 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_1KSU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KSU-query.scw PDB file : Tito_Scwrl_1KSU.pdb: