Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAYFEKLLDSSQQQKQLPLIFPLLIALFSGAVFSFALAPYYWWWLAILSPALLYATLHNRSAKQAFAIGWSYGFGLWFVGAFWLYTSIHVYGDTNAFLSVCMIAVMALVMGLFTAFQTWVYRRFFPETPLTFAPLWIIFEWAKTWVFTGFPWLFVGYAFTERLLDGYAPLFGIYAISFVVIVLACALVEVLRKRIFWVIPAALLVLGAWGASYIQFVQPKATKPLSVSLIQGNIPQDLKWLTEYQVRTLEIYAGLTQSEWGRDLIVWPESSIPLFQTDIEPFLDAMDAQAKKNHTAWVTGIPYWDVTKSHQVGSPLYYNSIMASGSDSSGLYKKQRLVPFGEYIPLSGLLSWVLPAMQNDISMSGFTRGESDQKPLLIKGHALAAAICYEVAYPNLTRRNAEDSDFLVTVSNDAWFTGTAGPW-----QHLQMVQMRAKENGRWFIRATNTGVTAFIDQNGHITEQAPIDKEFVLRGDLPAMQGQTFYNRLGDYPILGFAVLLLVLGWIYRPRKVDVSYKSRR 1SQ9 Chain:A ((3-395)) --KVFIATANAGKAHD--ADIFSVSAC------NSFTVSCSGDGYLKVWDNKLL----DNENPKDKSYSHFVHKSGLHHVDVLQAIE--------RDAFELCLVATTSFSGD----LLFYRITREDETKKVIFEKL--------------------------DLLDSDMKKHSFWALKWGASN-----------------SHRLVATDVKGTTYIWKFHPFADESNSLTL-NWSPTLELQGTVESPMTPSQFATSVDISERGLIATGFNNGTVQISE--LSTLRPLYNFESQHNNSNSIRSVKF----------SPQGSLLAIAHDSNSFGCITLYE-TEFGERI---GSLS-----VPGEFAHSSW---------------------VMSLSFND-------SGETLCSAGWD----GKLRFWDVKTKERITTLNMHCDDIE------IEEDILAVDEHGDSLAEPGVFDVKFLKKGWRSGMGADLNE-------SLCCVCLDRSIRWFREAG----------

General information: TITO was launched using: RESULT: Template: 1SQ9.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 : 2334 -224180 -96.05 -601.02 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -96.05 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.152

(partial model without unconserved sides chains): PDB file : Tito_1SQ9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SQ9-query.scw PDB file : Tito_Scwrl_1SQ9.pdb: