Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAIPAIQPYQMPTASDMPQNKVSWVPDPNRAVLLIHDMQNYFVDAFTAGASPVTELSANIRKLKNQCVQLGIPVVYTAQPGSQNPDDRALLTDFWGPGLNSGPYEEKIITELAPEDDDLVLTKWRYSAFKRTNLLEMMRKEGRDQLIITGIYAHIGCLVTACEAFMEDIKAFFVGDAVADFSLEKHQMALEYAAGRCAFTVMTDSLLDQLQNAPADVQKTSANTGKKNVFTCENIRKQIAELLQETPEDITDQEDLLDRGLDSVRIMTLVEQWRREGAEVTFVELAERPTIEEWQKLLTTRSQQVLPNADYL 3R77 Chain:B ((5-208)) -GIPSIVPYALPTSRDLPANLAQWHIDPERAVLLVHAMQRYFLRPLPDALR--DQVVGNAARIRQWAADNGVPVAYTAQPGSMNEEQRGLLKDFWGPGMKASPTDREVVDALAPQPGDWLLTKWRYSAFFNSDLLQRLHASGRDQLILCGVYAHVGVLISSVDAYSNDIQPFLVADAIADFSKEHHWMAMEYAASRCAMVITTDEVV---------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3R77.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 : 1181 -162502 -137.60 -796.58 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -137.60 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.572

(partial model without unconserved sides chains): PDB file : Tito_3R77.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R77-query.scw PDB file : Tito_Scwrl_3R77.pdb: