Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTKYRKPL--AGTQLEYYDVRQAVEDIQPGAYEKLPYTSKVLAEQLVRRAD--------AENLTAYLTQLIERRQDLDFPWYPARVVCHDILGQTALVDLAGLRDAIAEKGGDPSKVNPVVPTQLIVDHSLAVEYGGADPDAFAKNRAVEDRRNEDRFHFIEWTKTAFKNVDVIPAGNGIMHQINLEKMSPVIQARDGVAFPDTCVGTDSHTPHTDALGVISVGVGGLEAENVMLGRASWMRLPDIIGVELVGQRQAGITATDIVLALTEFLRKERVVGAYLEFFGEGADSMSVGDRATISNMTPEYGATAAMFYIDQNTIDYLRLTGREDAQVALVEQYAKEIGLWASE---MTKAEYPRVLRFDLSTVTRNIAGPSNPHARVSTSDLKEKGIAGVVE----------------------NRSDGLMPDGAIIIAAITSCTNTSNPRNTVAAGLLARKANGLGLVRKPWVKSSFAPGSKAAALYLEEAGVLKDLEKLGFGIVAYACTTCNGMSGALNPVIQQEIIDRDLYATAVLSGNRNFDGRIHPYAKQAFLASPPLVVAYAIAGTIRFDIEKDALGYDKEGNPIYLKDIWPSDAEIDALVKQAVKPEQFRKVYIPMFDLGE----VEQAKSPLYDWRPQSTYIRRPPYWEGALA---APRTLANMRPLAILGDNITTDHLSPSNAILMDSAAGEYLHKMGVPEEDFNSYATHRGDHLTAQRATFANPKLYNEMVRRSDGTIKQGSKARVEPEGEVMRMWEAIETYMNRKQPLIIIAGADYGQGSSRDWAAKGVRLAGVEAIVAEGFERIHRTNLVGMGVLPLEFKPGVNRKTLKLDGTELYSVIG-N-IAPRSTLTLVIERATADGKEEIVEVPVTCRLDTEEEVSVYEAGGVLQRFAQDFLEGQVA 2B3X Chain:A ((8-887)) -----AEPLDPVQPGKKFFNLNKL-E---DSRYGRLPFSIRVLLEAAIRNCDEFLVKKQDIENILHWNVTQ---HKNIEVPFKPARVILQDFTGVPAVVDFAAMRDAVKKLGGDPEKINPVCPADLVIDHSIQVDFNRR-ADSLQKNQDLEFERNRERFEFLKWGSQAFHNMRIIPPGSGIIHQVNLEYLARVVFDQDGYYYPDSLVGTDSHTTMIDGLGILGWGVGGIEAEAVMLGQPISMVLPQVIGYRLMGKPHPLVTSTDIVLTITKHLRQVGVVGKFVEFFGPGVAQLSIADRATIANMCPEYGATAAFFPVDEVSITYLVQTGRDEEKLKYIKKYLQAVGMFRDFNDPSQDPDFTQVVELDLKTVVPCCSGPKRPQDKVAVSDMKKDFESCLGAKQGFKGFQVAPEHHNDHKTFIYDNTEFTLAHGSVVIAAITSCTNTSNPSVMLGAGLLAKKAVDAGLNVMPYIKTSLSPGSGVVTYYLQESGVMPYLSQLGFDVVGYGCMTCIGNSGPLPEPVVEAITQGDLVAVGVLSGNRNFEGRVHPNTRANYLASPPLVIAYAIAGTIRIDFEKEPLGVNAKGQQVFLKDIWPTRDEIQAVERQYVIPGMFKEVYQKIETVNESWNALATPSDKLFFWNSKSTYIKSPPFFENLTLDLQPPKSIVDAYVLLNLGDSVTTDHISPAGNIARNSPAARYLTNRGLTPREFNSYGSRRGNDAVMARGTFANIRLLNRFL-NK-----QAPQTIHLPSGEILDVFDAAERYQQAGLPLIVLAGKEYGAGSSRDWAAKGPFLLGIKAVLAESYERIHRSNLVGMGVIPLEYLPGENADALGLTGQERYTIIIPENLKPQMKVQVKL-DT-------GKTFQAVMRFDTDVELTYFLNGGILNYMIRKMA-----

General information: TITO was launched using: RESULT: Template: 2B3X.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 : 5318 21232 3.99 25.40 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : 3.99 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.477

(partial model without unconserved sides chains): PDB file : Tito_2B3X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B3X-query.scw PDB file : Tito_Scwrl_2B3X.pdb: