Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMVFLTDLRKHNRIVKSINQTEGYLTTQVAFSYFEKGDQSLTMSEKSQWGSKLGFILASAGSVIGLGSVWKFPYMTAANGGGGFLLIFLISTILIGFPLLLAEFALGRSAGVSAIKT----FGKLGKNNKYNFIGWIGAFALFILLSFYSVIGGWILVYLGIEFGKLFQLGGTGD------------YAQLFTSIISNPA-------IALGAQATFIL---LNIFIVSRGVQKGIERASKVMMPLLFIIFVVIIERS--LSLPN--AMEGVLYFLKPDFSKLTSAGL-LYALRQSFFALSLGVTAMLTYASYLDKKTNLVQSRISIVAMNI--------SVSIMAGLAIFQARSPFNIQSEGGPSLVFIVLPQLFDKMPFGT----IFYVLFLFATVTSSVVMLEINVDNITNQDNSKRAKWSVILGILTFVFGIPSALSYGVMADVHIFGKAFFDAMDFLVSNLLMPFGALFLSLFTGYIFKKALAMEELHLDERAWKQGLFQV 2Q72 Chain:A ((4-437)) ---------------------------------------------KREHWATRLGLILAMAGNAVGLGNFLRFPVQAAENGGGAFMIPYIIAFLLVGIPLMWIEWAMGRYGGAQGHGTTPAIFYLLWRNRFAKILGVFGLWIPLVVAIYYVYIESWTL-----GFAIKFLVGLVPEPPPTDPDSILRPFKEFLYSYIGVPKGDEPILKPSLFAYIVFLITMFINVSILIRGISKGIERFAKIAMPTLFILAVFLVIRVFLLETPNGTAADGLNFLWTPDFEKLKDPGVWIAAVGQIFFTLSLGFGAIITYASYVRKDQDIVLSGLTAATLNEKAEVILGGSISIPAAVAFFGVANAVAIAKAGAFNLGFITLPAIFSQTAGGTFLGFLWFFLLFFAGLTSSIAIMQPMIAFL--EDELKLSRKHAVLWTAAIVF---------FSAHLVMFLNKSLDEMDFWAGTIGVVFFGLTELIIFFWIFGADKAWEEIN-------------

General information: TITO was launched using: RESULT: Template: 2Q72.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 : 2114 -239959 -113.51 -616.86 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -113.51 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_2Q72.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Q72-query.scw PDB file : Tito_Scwrl_2Q72.pdb: