Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEVREYGKKSQPKIRYSQFDAEDIRKELLERYGMEMPVECRLFDYGMNDIYRIKTKKE-TYFLRISLAGLHTKKDYEEEMHILNILIQNGIK-AAAPVKMRGMPGRQEDYVWELHAPEGIRYAMLFTEAPNSPS-DDKESSACNLGSMLAGIHNISDREKFQVSRPPIDMCQLVEKPL---SNIRPFL---AD--REQ--------DFSFLKESAEKLAGYIKG-----KLPETAPVYGFCHGDVHSGNVFFA-GDKPTLFDFDCMGYGWRSYDICVYAWNETFLDENYIEGSVWKKYLEGYESVRPLSAEEKETIPAFAA-LRQLWLMGLHADVMDRNAGCCWYQDDYFDSQIKMFRLWLDRCSL 4PDY Chain:A ((21-315)) ----------------------PLIPQAVVSKYDLA-IQQ---RHAD-GNIEVWTDSKGRRYAAKRSSIA---PAHCRIMVQCLRHAQEQGFTKFARFV-----TTSSNAPYVRHG----DFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWK------DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERG--NWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLPWRIAHARYHF------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 1119 -37082 -33.14 -140.46 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -33.14 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: