Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAYFEKLLDSSQQQKQLPLIFPLLIALFSGAVFSFALAPYYWWWLAILSPALLYATLHNRSAKQAFAIGWSYGFGLWFVGAFWLYTSIHVYGDTNAFLSVCMIAVMALVMGLFTAFQTWVYRRFFPETPLTFAPLWIIFEWAKTWVFTGFPWLFVGYAFTERLLDGYAPLFGIYAISFVVIVLACALVEVLRKRIFWVIPAALLVLGAWGASYIQFVQPKATKPLSVSLIQGNIPQ----DLKWLTEYQVRTLEIYAGL--TQSEWGRDLIVWPESSIPLFQTDI-----------EPFLDAMDAQAKKNHTAWVTGIPYWDVTKSHQVGSPLYYNSIMASGSD--SSGLYKKQRLVPFGEYIPLSGLLSWVLPAMQNDISMSGFTRGESDQKPLLI-K-GHALAAAICYEVAYPNLTRRN-AEDSDFLVTVSNDAWFTGTAGPWQHLQMVQMRAKENGRWFIRATNTG---------VTAFIDQNGHITEQAPIDKEFVLRGDLPAMQGQTFYNRLGDYPILGFAVLLLVLGWIYRPRKVDVSYKSRR 2DYV Chain:A ((13-261)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GFLVAAIQFPVPIVNSRKDI--DHNIESII-RTLHATKAGYP-GVELIIFPEYSTQGLNTAKWLSEEFLLDVPGKETELYAKACKEAKVYGVFSIMERNPD-----SNKNPYNTAIIIDPQGEIILKYRKLFPWNPIE--P--------------------WYPGDLGM-PVCEGPGGSKLAVCICHDGMIPELAREAAYKGCNVYIRISGYS--TQ--VNDQWILTNRSNAWHNLMYTVSVNLAGYDNVFYYFGEGQICNFDGTTLVQGHRNPWEIVTGEIYPK-----------------------------------------

General information: TITO was launched using: RESULT: Template: 2DYV.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 : 1258 -3041 -2.42 -13.95 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.47 3D Compatibility (PKB) : -2.42 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.47 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_2DYV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DYV-query.scw PDB file : Tito_Scwrl_2DYV.pdb: