Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSAHNKNETTFQRSMKSRHLFMLSLGGVIGTGLFLSSGYTIQQAGPAGTILAYLV------GAGIVYLVMLCLGELSVAMPVTGAFHTYAAKYIGPGTGFTVAWLYWL-TWTVALGSEFTAAGLLMQRWFP---HTSVWMWSAVFALFIF-LLNAFSVKFFAESEFWFSSIKVLAIVLFILLGGSAMFGIIPIKGGEAAPMLSNFTAEGGLFPNGFVPILMTMLSVNFAFSGTELIGIAAGESVDPDKTIPKAIKTTVWRLSLFFVGTIFVLSGLIPIQDAGVIKSPFVAVFDRVGVPYAADIMNFVILTAILSAANSGLYASSRMLWSLSKEKTLHPTFAKLTSKGTPFNALVFSMIGGILSLLSSVFAPDTVYVVLV-SISGFAVVVVWMGIAASQFMFRKRYIEAGNKVTDLKYRTPLYPFVPIAAFLLCLASVVGIAFDPNQRIALYCGVPFMAIC--YAIYYVKNRKSQPAADMTHSK 3LRB Chain:A ((21-435)) --------------------------GNIMGSGVFLLPANLASTGGIA--IYGWLVTIIGALGLSMVY------AKMSFLDPSPGGSYAYARRCFGPFLGYQTNVLYWLACWIGNIAMVVIGVGYL-SYFFPILKDPLVLTITCVVVLWIFVLLNIVGPKMITRVQ------AVATVLALIPIVGIAVFGWFWFRG-ETYMAAWNVSGLGT-----FGAIQSTLNVTLWSFIGVESASVAAGVVKNPKRNVPIATIGGVLIAAVCYVLSTTAIMGMIPN--------------------TAGAIVSFCAAAGCLGSLGGWTLLAGQTAKAAADDGLFPPIFARVNKAGTPVAGLIIVGILMTIFQLSSISPNATKEFGLVSSVSVIFTLVPYLYTCAALLLLGHGHFG--------KAR-PAYLAVTTIAFLYCIWAVVG----SGAKEVMWSFVTLMVITAMYALNYNRLHKNP---------

General information: TITO was launched using: RESULT: Template: 3LRB.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 : 1912 -265468 -138.84 -696.77 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -138.84 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.293

(partial model without unconserved sides chains): PDB file : Tito_3LRB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LRB-query.scw PDB file : Tito_Scwrl_3LRB.pdb: