Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDFKDTLLMPKTDFPMRGNLPNREPDIQKKWEEEDIYRLVQERTKDRPKFVLHDGPPYANGDIHMGHALNKILKDFIVRYKSMSGYNAPYVPGWDTHGLPIETALTKNKKVNRKE----MSVAEFRKLCEEYAWKQIEGQREQF-KRLGVRGDWENPYVTLKPEYEAQQIRVFGEMAKRGYIYKGLKPVNWSPSSESALAEAEIE--YQDKRSASIYVAFGVKDGKGVLENGERIIIWTTTPWTIPANLGISVHPDLEYSVIAVGEDRFVVASALVENVASACGFDQYEVTRTVKGKDLENIIAEHPL---YGRDSLVMLGEHVTTDAGTGCVHTAPGHGEDDFIIGQKYGLDVLCPVDEKGVMTSEAPGFEGMFYDDANKAITQQLDEKGALVKLEFITHSYPHDWRTKKPTIFRATAQWFASIKDFRSDLLDAIKETKWV-PEWGEQRLHNMVRDRGDWCISRQRAWGVPIPVFYAENGEPVITDETIEHVSELFRQHGSNIWFEKEAKDLLPEGFTHPGSP-----------NGTFTKEQDIMDVWFDSGSSHQAVLE---ERDDLVR---PADLYLEGSDQYRGWFNSSLSTAVAVTGKAPYKGVLSHGFALDGEGRKMSKSIGNVVVPAKVMKQLGADILRLWV-SSVDYQADVRVSDAILKQ-VAEVYRKIRNTFRFL--HGNLFDFDPKTNAVAVEDLREVDQYMLIKLNKLIDKVKKAYDEYEFAVVYHSIHNFCTIELSSFYLDFAKDIVYIEHADHPDRRSMQTVFYETLLALVKLSAPILPHTADELWSHLT----FVEEQSVQLTDMPETITVPNSEATEEKFDRFMALRDDVLKALETARNEKIIGKSLEANLKLYPNKENKELLASIKENLSQLFIVSELTISEENEAPNDAQSFATGKIAVEKAEGEMCERSRVISKDVGANPKYPTLSLRNAEIVEKYYQK 1ILE Chain:A ((9-816)) ------------------NFPKLEEEVLAFWKREKIFQKSVENRKGGPRYTVYEGPPTANGLPHVGHAQARSYKDLFPRYKTMRGYYAPRRAGWDTHGLPVELEVEKKLGLKSKREIEAYGIERFNQACRESVF-TYEKEWEAFTERIAYWVDLEDAYATLEPTYIESIWWSLKNLFDRGLLYRDHKVVPYCPRCGTPLSSHEVALGYKEIQDPSVYVRFPLKEPKKLGLEKASLLIWTTTPWTLPGNVAAAVHPEYTYAAFQVGDEALILEEGLGRKLLG----EGTQVLKTFPGKALEGLPYTPPYPQALEKGYFVVLADYVSQEDGTGIVHQAPAFGAEDLETARVYGLPLLKTVDEEGKLLVEP--FKGLYFREANRAILRDLRGRGLLFKEESYLHSYPHCWRCSTPLMYYATESWFIKNTLFKDELIRNNQEIHWVPPHIKEGRYGEWLKNLVDWALSRNRYWGTPLPIWVCQA---CGKEEAIGSFQEL----------KARATKPLPEPFD-PHRPYVDQVELACACGGTMRRVPYVIDVWYDSGAMPFASLHYPFEHEEVFRESFPADFIAEGIDQTRGWFNSLHQLGVMLFGSIAFKNVICHGLILDEKGQKMSKSKGNVVDPWDIIRKFGADALRWYIYVSAPPEADRRFGPNLVRETVRDYFLTLWNVYSFFVTYANLDRPDLK-NPPPPEKRPEMDRWLLARMQDLIQRVTEALEAYDPTTSARALRDFVVEDLSQWYVRRNRRRFW-KNEDALDREAAYATLYEALVLVATLAAPFTPFLAEVLWQNLVRSVRLEAKESVHLADWPEADPALADEA-------LVAQMRAVLKVVDLARAAR-----------------------------------------------------------------------------------------------------

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 : 4140 -349406 -84.40 -452.60 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -84.40 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.431

(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: