Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKFPEGFLWGGATAANQCEGAWDVDEKGLSVSDVYTFDSDLPKEKWTDQWHMMTHQQVKAAQDPNSKYYYPKRHGNDFYHHFKEDIRLFAEMGFKCYRMSIAWTRIFPHGDEETPNEAGLFFYDQVFDECLKYGIEPVVSLSHYEMPLYLVTEYGGWPNRKLIQFYVRFAETVFKRYKNKVKYWMTFNEINCVKHH-----PFVSVGVIEENHPHLEQAKYQGAHHQFIASALATKACHEIIKGSQVGCMISYQLLVPYSCDPDDIQKTIEQQRTSLFFSDVQARGYYPAYTQRMFEEKGVNLKIEVGDEEILAAYPVDFVSFSYYMSSAVSAHPENWEGVQGNLITGGIKNPYLPSSEWGWQIDPKGLRIALNQLYDRYQKPLFIAENGLGAIDKVEEDGTVQDDYRIDYLKQHIEQMKEAI-KDGVDLFGYTSWGCIDIVSASTSQMSKRYGYIYVDQDDEGNGTKKRLKKKSFDWYRQVIQSNGEIL 4GPN Chain:B ((5-478)) -SKLPENFLWGGAVAAHQLEGGWQEGGKGISVADVMTAGR-----------HGVAREITAGVLEGK---YYPNHEAIDFYHHYKEDVKLFAEMGFKCFRTSIAWTRIFPKGDEAEPNEAGLQFYDDLFDECLKYGIEPVVTLSHFELPYHLVTEYGGFTNRKVIDFFVHFAEVCFRRYKDKVKYWMTFNEINNQANYQEDFAPFTNSGIVYKEGDDREAIMYQAAHYELVASARAVKIGHAINPNLNIGCMVAMCPIYPATCNPKDILMAQKAMQKRYYFADVHVHGFYPEHIFKYWERKAIKVDFTERDKKDLFEGTVDYIGFSYYMSFVIDAHRENNPYYDYLETEDLVKNPYVKASDWDWQIDPQGLRYALNWFTDMYHLPLFIVQNGFGAIDQVEADGMVHDDYRIDYLGAHIKEMIKAVDEDGVELMGYTPWGCIDLVSAGTGEMRKRYGFIYVDKDDEGKGTLKRSPKLSFNWYKEVIASNGD--

General information: TITO was launched using: RESULT: Template: 4GPN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2790 -81521 -29.22 -174.19 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -29.22 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_4GPN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GPN-query.scw PDB file : Tito_Scwrl_4GPN.pdb: