Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSTSVALIASVLRQPRVGDDLQWVRYDAPFRTAQDYAAAEYLYRLRLCSLRLRSSLLSPSLPRTGPVSEVA----------HLLPHYPVQITAQLV--YMDEPLSPVVESAAVYASAAALLPPASPVGGDTDTHAEMEVVYTFTDEWLVFPLELCDVPLDASCKLHLWHR----DTHVAEAALHVYSV-AGELCVGQRQLALSTGGDAPS---DEQLWSTSTRAAELLADFHRGMMPPIPWLDTLSIQQLEAEHARHGNAVVRRGSPQSAKDPCGAPTAILTLYLPAATT-AVFFEPGVA--RVSDDMKSLLQHSDAADDSCDFTQRPFPDQYTFFKEHNLCEAKAAITSKT-QYFLSDSSAPPGPKERHQLASLLRRPPIQLDNVAGAVVTGAGAGGVGGGRLEETRLLWKYRHFICRDGKYFLPFMRCVDWANTHSSERRAACALIYQWARPAFEDVLACLSFYFDHVAPVRQYAVRLLRREGDGRLCQLAFQLVQAVRYDSA------------------EAELANFLVERAVGCWELCSTLYTLLSVEVALEKRRTLSAAGKASDDRHGGRALFEPLLRRLSERLTQQCPHFATRLRQQHAMHRVLQLLSRQLQQSSLDRLGKTALGNKLIAKQACGLRALFSSVHHGMPSRRNVNGSFSSSLMTHSSAGMREEHSMSSARTGDGSEEADANGGDGSSAVEASDVDSAADDEVRRLRFPPLSPQSQGSAPRSPPSQSGAKQQYRSRHASAVDVLDRYGVATLATHPGIPITGLLSDSLYIFKSAKLPMRLTFTALRPAGLAWGGGRGGEPLYGASPSPCLLTPLAMQPAPSQQRSGGLQGMNSSGGGASAAVAAEEQAEGFLGAGEGDTVPLAMMYKYNDDIRQDQLIVQLIRLMDDLLQRDGLQLYLTPYRVIATAPNEGLVEIVPQVTTFFSVQ---RDVLKYLRVYNSTAE----LLRQAMDRYTRSFAGYCVITFVLGIGDRHLENILITQDGRLLHIDFGYVLGNDPKPFPPPMKINREMVEVLGGPQSTGFTEFKLYCCSAYNTLRKHAPLLLHILLLGAHTEGMPQVTGEGGDPRVNLLKVQEKLRLDLTNAQATQYLQNVIADSVGSIFTNLWDVLHAAAQATRG 5KC2 Chain:C ((17-875)) -------------------------------------------------PLKVKIKSLEGHKPLLKP-SQKILNPELMLIGSNVFPSSDLIVSLQVFDKERNRNLTLPIYTPYIPFRNS----------------------R-TWDYWLTLPIRIKQLTFSSHLRIILWEYNGSKQIPFFNLETSIFNLKDCTLKRGFESLKFRYDVI-DHCEVVTD-----NKDQENLNKYFQGEFTRLPWLDEITISKLRKQRENRTW---------------PQGTFVLNLEFPMLELPVVFIEREIMNT------------------------------------NDPIEEKYRRLERASKNANLDKQVKPDIKKRDYLNKIINYPPGT-------KL-----------TAHEKGSIWKYRYYLMNNKKALTKLLQSTNLRE--ESERVEVLELMDSWAEIDIDDALELLGSTFK-NLSVRSYAVNRLKKASDKELELYLLQLVEAVCFENLSTFSDKSNSEFTIVDAVS--PLAEFLIRRALVNPRLGSFFYWYLKSESEDK-------------------PYLDQILSSFWSRLDK---KSRNILNDQVRLINVLRECCETIKRLKDTTAKKMELLVHLLETK-------------------------------------------------------------------------------------------------------------------VRPLVK-VRPIALPLDPDVLICDVCPETSKVFKSSLSPLKITFKTT----------------------------------------------------------------------LNQP--YHLMFKVGDDLRQDQLVVQIISLMNELLKNENVDLKLTPYKILATGPQEGAIEFIPN-DTLASILSKYHGILGYLKLHYPDENATLGVQGWVLDNFVKSCAGYCVITYILGVGDRHLDNLLVTPDGHFFHADFGYILGQDPKPFPPLMKLPPQIIEAFGGAESSNYDKFRSYCFVAYSILRRNAGLILNLFELMKTS-NIPDIRID---PNGAILRVRERFNLNMSEEDATVHFQNLINDSVNALLPIVIDHLHNLAQYWRT

General information: TITO was launched using: RESULT: Template: 5KC2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 3015 -21748 -7.21 -30.16 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.69 3D Compatibility (PKB) : -7.21 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_5KC2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KC2-query.scw PDB file : Tito_Scwrl_5KC2.pdb: