Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDLSYVNEHSD---AWQTYLAQIDRVAPYLEHLADYIDTLKRPKRALIVDVPIVMDDGSIQHFEGYRVQHNLSRGPGKGGVRYHPNVDLNEVMALSAWMTIKTAVLNLPFGGAKGGIRVDPRKLSNRELERLTRRYTTEIGHIIGPQKDIPAPDVGTNANIMGWMMDTYSTSQGHTVTGVVTGKPVHLGGSLGRVKATGRGVFVTGREVAAKINLPIEGAKVAVQGFGNVGSEAAFLFVESKAKITHVQDHTGTIFNADGIDLVALRDHVNANQGVGGFAGAQAIADEDFWTAEVDIIIPAALEGQITVERAEKLKAKLILEGANGPTYPKAEDVLVERGIVVVPDVVCNAGGVTVSYFEWVQDMASYFWSEEEINERLDKLMVQAMDDVWNTANKNACTLRTAAYILACERILKARKERGIFPG 4XGI Chain:D ((21-436)) ---------HADDLGPWGNYLQQVDRVAPYLGSLSRWIETLKRPKRILIVDVPIELDNGTVAHFEGYRVQHNVSRGPGKGGVRYHQDVTLSEVMALSAWMSVKNAAVNVPYGGAKGGIRVDPRKLSRGELERVTRRYTSEIGIIIGPNTDIPAPDVNTNEQIMAWMMDTYSMNQGQTATGVVTGKPISLGGSLGRKEATGRGVFVVGCEAAKKKGVEIEGARIAVQGFGNVGGIAAKLFQEAGAKVIAVQDHTGTIHQPAGVDTAKLLDHVGRTGGVAGFEGAEPMPNDEFWTVETEILIPAALENQITEKNASKIRTKIIVEGANGPTTTAADDILSANGVLVIPDVIANAGGVTVSYFEWVQ-------TEDEINHRLERVMREAFAGVWAVAEEHKVSVRTAAFIVACKRILMAREMRGLYP-

General information: TITO was launched using: RESULT: Template: 4XGI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2534 25659 10.13 63.20 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain D : 0.88 3D Compatibility (PKB) : 10.13 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_4XGI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XGI-query.scw PDB file : Tito_Scwrl_4XGI.pdb: