Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSTEIMADLSSHTPMMQQYLKVKKDYQHALLFYRMGDFYELFFEDAHLAAKLLGITLTHRGKANGNPIPMAGVPYHSAEGYLARLVKAGRTVAICEQVGEVT-GKGPVERKVVRILTPGTLTDDALLTSYQSSNLVALCIHQNQIGFALLDLSAGIFKVQQQDYKPEQLPIELARLMPSEILIDEDLVDPNIIEQIKKHLDCPVTKRPNVDFNLNNAQKTLCDQFSVSTLSGFGLDPLPLAKAAAAALIHYAKETQKTALPHIRSILLEQSTDFIALDPITRRNLEIIEPLFEHGTSLFQLVNDCQTAMGGRLLSRTLMQPVRDTALLDARLDAIEQLI-QGYHESPVRLVLKEIGDIERVLSRVALGSARPRDLVQLRHACAQIPFLRNALAPVVQAKKSKLLGQLDQELGDFKSLHQHLMAAIVENPPVLLRDGNVIAEGYDAELDELRQIRDHAGQFLIDLEIKERERTGISTLKIGYNRVSGYYIELTRAQAEQAPADYIRRQTLKNAERYITPELKSFEDKVLSSESRALAREKALFEALLENLRENIAHLQMMSSAIAQIDVIANFAHQARLNNWARPEFTPETGIKIQGGRHPVVEALSKAPFTPNDTFLDVQHRMAIITGPNMGGKSTFMRQTALISLLAYCGSYVPARAAKLGPIDRIFTRIGSADDLSTGKSTFMVEMTETSQILHHATNQSLVLMDEVGRGTSTYDGLSLAWACVVDLTKRVKCLCLFATHYFELTELGSEPGIDNYHVTAQELNGNLILLHKVQQGPASQSHGLQVAKLAGIPANVIKEAQKRLRILEKQQQQHLQTSVQSDLFATLDSEVTPSIQVIEKVIEVEVSSPALDLLKQIEVDNLTPRQALEQLYELKAALNS 1FW6 Chain:A ((15-752)) --------------PLLQQYVELRDQYPDYLLLFQVGDFYECFGEDAERLARALGLVLTHKTSKDFT-TPMAGIPLRAFEAYAERLLKMGFRLAVADQVEPAEEAEGLVRREVTQLLTPGTLLQESLLP--REANYLAAIATGDGWGLAFLDVSTGEFKGTVLKSK-SALYDELFRHRPAEVLLAPELLE-------------------NGAF-LDEFRKRFPVMLSEAPFEPEGEGPLALRRARGA-LLAYAQRTQGGAL-SLQPFRFYDPGAFMRLPEATLRALEVFEPLRGQDT-LFSVLDETRTAPGRRLLQSWLRHPLLDRGPLEARLDRVEGFVREGALREGVRRLLYRLADLERLATRLELGRASPKDLGALRRSLQILPELR------------ALLGE-EVGLPDLSPLKEELEAALVEDPPLKVSEGGLIREGYDPDLDALRAAHREGVAYFLELEERERERTGIPTLKVGYNAVFGYYLEVTRPYYERVPKEYRPVQTLKDRQRYTLPEMKEKEREVYRLEALIRRREEEVFLEVRERAKRQAEALREAARILAELDVYAALAEVAVRYGYVRPRFGDR--LQIRAGRHPVVE--RRTEFVPND--LEMAHELVLITGPNMAGKSTFLRQTALIALLAQVGSFVPAEEAHLPLFDGIYTRIGA------GKSTFMVEMEEVALILKEATENSLVLLDEVGRGTSSLDGVAIATAVAEALHER-RAYTLFATHYFELTALGL-PRLKNLHVAAREEAGGLVFYHQVLPGPASKSYGVEVAAMAGLPKEVV-----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1FW6.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 : 3793 -31840 -8.39 -43.62 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -8.39 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_1FW6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1FW6-query.scw PDB file : Tito_Scwrl_1FW6.pdb: