Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRVGDYEILDVVGEGAYSKVKRVRHIPTGCMFVAKIVPKTNQQVENDVRL--EISILRRLKHKNIVQLIEILESTNNYYIILEPVMGGDLCDIIVGMDRPLPEQDVAALLIQLVAGVRACHRNGVAHRDLKPENLLLGTDGVLKISDFGLSRLHRESNFQASTNEYAHTLTGTLAYLAPEVF-GGSYDAFRADIWSMGCIAYVLLTQNFPFGSTTDPHALEVRIRNGEVSIMPSSVSAEAKNLCKWLLSPRPEDRPTLDAVAQHDFFKRYLPAEYLRVTANRKSPIVHGANMNEFSSQVQEEAPSCSPSTASAKRKHHHVRSGSAARTSPSGSAVAGAATSSNRSSESGRDREDLVSHGTQDESGLGGYCGDV 2R0I Chain:A ((50-300)) ---IGNYRLLKTIGKGNFAKVKLARHILTGKEVAVKIIDKTQLNSSSLQKLFREVRIMKVLNHPNIVKLFEVIETEKTLYLVMEYASGGEVFDYLVAHGR-MKEKEARAKFRQIVSAVQYCHQKFIVHRDLKAENLLLDADMNIKIADF-----------------------GSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDG-QNLKELRERVLRGKYRI-PFYMSTDCENLLKKFLILNPSKRGTLEQIMK--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2R0I.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 : 1065 -23189 -21.77 -99.95 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -21.77 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_2R0I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R0I-query.scw PDB file : Tito_Scwrl_2R0I.pdb: