Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MREKMRFPTLVFDIETLTDLKAGAHLYHLDLPEADVEQALTKIRRQESGMDFQRLPLHEIVCISGLWIDESGFR-LFSFSREHYSEAEILQKFLSIFDKRHPTLVS-WNGSQFDLPVILFRAMYHGLSAPGLFDQGELDSQKRFNNYQNRYHHRHIDLMDVMAMFNGRNFQKLDDVACILGLPGKRGESGYHVPEYVRTEQWL----KLTSYCEGDVLNTWFIYLRW-------LLLKGQMNVDEHNHWISSSIEYLQTMPQQAD---FLEVWQRTSKHTEFTSHYFNPLNF-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4M8O Chain:A ((31-1186)) ALSAQQLLNASKIDDIDSMMGFERYVPPQYNGRFDAKDIDQIPGRVGWLTNMHATLVSQEVTTNQGISGVDFYFLDEEGGSFKSTVVYDPYFFIACNDESRVNDVEELVKKYLESCLKSLQIIRKEDLTMDNHLLGLQKTLIKLSFVNSNQLFEARKLLRPILQDNANNNVQRNIYNVKVDAKHLIEDIREYDVPYHVRVSIDKDIRVGKWYKVTQQGFIEDTRKIAFADPVVMAFAIAT------TKPPLKFPDSAVDQIMMISYMIDGEGFLITNREIISEDIE-DFEYTPKPEYPGFFTIFNEN-DEVALLQRFFEHIRDVRPTVISTFNGDFFDWPFIHNRSKIHGLD---MFDEIGFAPDA-----EGEYKSSYCSHMDCFRWVKRDSYLPQGSQGLKAVTQSKLGYNPIELDPELMTPYAFEKPQHLSEYSVSDAVATYYLYMKYVHPFIFSLCTIIPLNPDETLRKGTGTLCEMLLMVQAYQHNILLPNKHTDPIERFYDGHLLESETYVGGHVESLEAGVFRSDLKNEFKIDPSAIDELLQELPEALKFSVEVENKSSVDKVTNFEEIKNQITQKLLELKENNIRNELPLIYHVDVASMYPNIMTTNRLQPDSIKAERDCASCTCARKLKWAWRGEFFPSKMDEYNMIKRALQNETFPNKNKFSKKKVLTFDELSYADQVIHIKKRLTEYSRKVYHRVKVSEIVEREAIVCQRENPFYVDTVKSFRDRRYEFKGLAKTWKGNLSKIDPSDKHARDEAKKMIVLYDSLQLAHKVILNSFYGYVMRKGSRWYSMEMAGITCLTGATIIQMARALVERVGRPLELDTDGIWCILPKSFPETYFFTLENGKKLYLSYPCSMLNYRVHQKFTNHQYQELKDPLNYIYETHSENTIFFEVDGPYKAMILPSSKEEGKGIKKRYAVFNEDGSLAELKGFELKRRGELQLIKNFQSDIFKVFLEGDTLEGCYSAVASVCNRWLDVLDSHGLMLEDEDLVSLICENRSMSKTLKEYEGQKSTSITTARRLGDFLGEDMVKDKGLQCKYIISSKPFNAPVTERAIPVAIFSADIPIKRSFLRRWTLDPSLEDLDIRTIIDWGYYRERLGSAIQKIITIPAALQGVSNPVPRVEHPDWLKRKIAT

General information: TITO was launched using: RESULT: Template: 4M8O.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 : 1007 -8852 -8.79 -34.05 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -8.79 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.247

(partial model without unconserved sides chains): PDB file : Tito_4M8O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M8O-query.scw PDB file : Tito_Scwrl_4M8O.pdb: