Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAIPAIQPYQMPTASDMPQNKVSWVPDPNRAVLLIHDMQNYFVDAFTAGASPVTELSANIRKLKNQCVQLGIPVVYTAQPGSQNPDDRALLTDFWGPGLNSGPYEEKIITELAPEDDDLVLTKWRYSAFKRTNLLEMMRKEGRDQLIITGIYAHIGCLVTACEAFMEDIKAFFVGDAVADFSL----------EKHQMALEYAAGRCAFTVMTDSLLDQLQNAPADVQKTSANTGKKNVFTCENIRKQIAELLQETPEDITDQEDLLDRGLDSVRIMTLVEQWRREGAEVTFVELAERPTIEEWQKLLTTRSQQVLPNADYL 4H17 Chain:A ((16-197)) ----------------------YPPAKLSHASLIIIDAQKEYLSGPL-KLSGMDEAVANIARLLDAARKSGRPIIHVRHLGTVGG--------RFD----PQGPAGQFIPGLEPLEGEIVIEKRMPNAFKNTKLHETLQELGHLDLIVCGFMSHSSVSTTVRRAKDYGYRCTLVEDASATRDLAFKDGVIPAAQIHQCEMAVMADNFACVAPTASLI---------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4H17.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 : 858 -113637 -132.44 -660.68 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -132.44 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.490

(partial model without unconserved sides chains): PDB file : Tito_4H17.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4H17-query.scw PDB file : Tito_Scwrl_4H17.pdb: