Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPKYAQVKEEISSWINQGKILPDQKIPTENELMQQFGVSRHTIRKAIGDLVSQGLLYSVQGGGTFVASRSAKSALHSNKTIGVLTTYISDYIFPSIIRGIESYLSEQGYSMLLTSTNNNPDNERRGLENLLSQHIDGLIVEPTKSALQTPNIGYYLNLEKNGIPFAMINASYAELAAPSFTLDDVKGGMMAAEHLLSLGHTHMMGIFKADDTQGVKRMNGFIQAHRERELFPSPDMIV--TFTTEEKESKLLEKVKATLEKNS-K---HMPTAILCYNDEIALKVIDMLREMDLKVPEDMSIVGYDDSHFAQISEVKLTSVKHPKSVLGKAAAKYVIDCLEHKK-PKQEDVIFEPELIIRQSARKLNE 3TB6 Chain:A ((15-297)) ------------------------------------------------------------------------------NKTIGVLTTYISDYIFPSIIRGIESYLSEQGYSMLLTSTNNNPDNERRGLENLLSQHIDGLIVEPTKSALQTPNIGYYLNLEKNGIPFAMINASYAELAAPSFTLDDVKGGMMAAEHLLSLGHTHMMGIFKADDTQGVKRMNGFIQAHRERELFPSPDMIVTFTTEEKE--SKLLEKVK----ATLEKNSKHMPTAILCYNDEIALKVIDMLREMDLKVPEDMSIVGYDDSHFAQISEVKLTSVKHPKSVLGKAAAKYVIDCLEHKKPKQ-EDVIFEPELIIRQSARKLN-

General information: TITO was launched using: RESULT: Template: 3TB6.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 : 1517 -40387 -26.62 -146.33 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -26.62 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.563

(partial model without unconserved sides chains): PDB file : Tito_3TB6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TB6-query.scw PDB file : Tito_Scwrl_3TB6.pdb: