Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKQVINISGYHMNIPNVLKYYFTETFLKTAIRKPSQLNLPPTALRPMLEQLCRAFPKQKNVTVRPIRLAGIKGEEIKAQDSATQLIFHIHGGAFFLGSLKTHHAFMTDLAARTQMQIIHVDYPLAPEHPYPEATEALYDVYQSLLVQGIQPKDIILSGDSCGANLALALCLRLKEQPELMPSGLILLSPFLDLTLTSESLRFNQKHDALLSLEALQIGIQHYIGNHIAADDPRVSPIFDNLEGLPPTLVQVGSKEILLDDAKRFREKAEEAGVKVHFKLYTGMWHNFQMFNAWFEEAKQAMADIAEFAHELDKT 3K6K Chain:B ((41-309)) --------------------------------------------KRAGMEALCERFPRAEGVELTLTDLGGVPCIRQATDGAGAAHILYFHGGGYISGSPSTHLVLTTQLAKQSSATLWSLDYRLAPENPFPAAVDDCVAAYRALLKTAGSADRIIIAGDSAGGGLTTASMLKAKEDGLPMPAGLVMLSPFVDLTLSRWSNSNLADRDFLAEPDTLGEMSELYVGGE-DRKNPLISPVYADLSGLPEMLIHVGSEEALLSDSTTLAERAGAAGVSVELKIWPDMPHVFQMYGKFVNAADISIKEICHWISARIS-

General information: TITO was launched using: RESULT: Template: 3K6K.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 : 1681 -158388 -94.22 -588.80 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -94.22 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.599

(partial model without unconserved sides chains): PDB file : Tito_3K6K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K6K-query.scw PDB file : Tito_Scwrl_3K6K.pdb: