Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDFKDTLLMPKTDFPMRGNLPNREPDIQKKWEEEDIYRLVQERTKDRPKFVLHDGPPYANGDIHMGHALNKILKDFIVRYKSMSGYNAPYVPGWDTHGLPIETALTKNKKVN----RKEMSVAEFRKLCEEYAWKQIEGQREQFKRLGVRGDWENPYVTLKPEYEAQQIRVFGEMAKRGYIYKGLKPVNWSPSSESALAEAEI--EYQDKRSASIYVAFGVKDGKGVLENGERIIIWTTTPWTIPANLGISVHPDLEYSVIAVGEDRFVVASALVENVASACGFDQYEVTRTVKGKDLENIIAEHPLYG---RDSLVMLGEHVTTDAGTGCVHTAPGHGEDDFIIGQKYGLDVLCPVDEKGVMTSEAPGFEGMFYDDANKAITQQLDEKGALVKLEFITHSYPHDWRTKKPTIFRATAQWFASIKDFRSDLLDAIKETKWVPEWGE-QRLHNMVRDRGDWCISRQRAWGVPIPVFYAE-NGEPVITDETIEHVSELFRQHGSNIWFEKEAKDLLPE-GFTHPGSPNGTFTKEQDIMDVWFDSGSSHQAVLEE------RDDLVRPADLYLEGSDQYRGWFNSSLSTAVAVTGKAPYKGVLSHGFALDGEGRKMSKSIGNVVVPAKVMKQLGADILRLWVSSVDY-QADVRVSDAILKQVA-EVYRKIRNTFRFLHGNLFDFDPKT-NAVAVEDLREVDQYMLIKLNKLIDKVKKAYDEYEFAVVYHSIHNFCTIELSSFYLDFAKDIVYIEHADHPDRRSMQTVFYETLLALVKLSAPILPHTADELWSHLTFV----EEQSVQLTDMPETITVPNSEATEEKFDRFMALRDDVLKALETARNEKIIGKSLEANLKLYPNKENKELLASIKENLSQLFIVSELTISEENEAPNDAQSFATGKIAVEKAEGEMCERSRVISKDVGANPKYPTLSLRNAEIVEKYYQK 1ILE Chain:A ((5-817)) --------------VGEPNFPKLEEEVLAFWKREKIFQKSVENRKGGPRYTVYEGPPTANGLPHVGHAQARSYKDLFPRYKTMRGYYAPRRAGWDTHGLPVELEVEKKLGLKSKREIEAYGIERFNQACRESVFTYEKEWEAFTERIAYWVDLEDAYATLEPTYIESIWWSLKNLFDRGLLYRDHKVVPYCPRCGTPLSSHEVALGYKEIQDPSVYVRFPLKEPKKLGLEKASLLIWTTTPWTLPGNVAAAVHPEYTYAAFQVGDEALILEEGLGRKLLGE----GTQVLKTFPGKALEGLPYTPPYPQALEKGYFVVLADYVSQEDGTGIVHQAPAFGAEDLETARVYGLPLLKTVDEEGKLLV--EPFKGLYFREANRAILRDLRGRGLLFKEESYLHSYPHCWRCSTPLMYYATESWFIKNTLFKDELIRNNQEIHWVPPHIKEGRYGEWLKNLVDWALSRNRYWGTPLPIWVCQACGKEEAI-GSFQELKARATK-PLPEPFD-PHRPYVDQVELAC-ACG-GTMRRVPYVIDVWYDSGAMPFASLHYPFEHEEVFRESFPADFIAEGIDQTRGWFNSLHQLGVMLFGSIAFKNVICHGLILDEKGQKMSKSKGNVVDPWDIIRKFGADALRWYIYVSAPPEADRRFGPNLVRETVRDYFLTLWNVYSFFVTYANLDRPDLKNPPPPEKRPEMDRWLLARMQDLIQRVTEALEAYDPTTSARALRDFVVEDLSQWYVRRNRRRFWKNED-ALDREAAYATLYEALVLVATLAAPFTPFLAEVLWQNLVRSVRLEAKESVHLADWPEADPALADEALVAQMRAVLKVVDLARAARA-----------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1ILE.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 : 4323 -356366 -82.43 -452.24 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -82.43 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_1ILE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ILE-query.scw PDB file : Tito_Scwrl_1ILE.pdb: