Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQSAQIQDIYPLSHMQEGMLFHSLMDFSSKAYIEQTSFTITGNLCVDSFQKSLNLLVSRYDIFRTIFIKEVPDLTGPQQVVLSNRELTVYREDISRLADQEQQTLIDAFMTKDREKGFDLQKDPLMRLALFDRGDSQYTCVWTHHHIIMDGWCLGIILKEFFSMYDSLKNNSPVQLGSTVPYSRYIEWLGEQDQEETAAYWSEYLKEYGNTASIPRIKRRTADGNYKADQVSFSLAPDMVEKLTEAAQNWGVTLNTLFMSIWGVLLHRYNAADDAVFGSVISGRPSAIDGIESMVGLFINTVPVRIRSAEGITFSSLVKAVQEDILSSEQHGYYPLYEIQNHSPLKQGLIDHIFVFENYPVQLHQALSVESENDEGALKLSDISMSEQTNYDFNIVIVPGESFYIKFSYNADVYEREEMLRIQGHLKQALDCILTNPDVAVSDINIVPPEEQQ-VIQLFNETERPYVNKTIPQLFEEQAHKTPEAAALKMGNECWTYRQLQVRANQIAHALIEKGVGSGDIVAVMMGRSMEMPAALLGIWKAGGAYMPLDPHFPAERLSFLLKDSQAAQLLIEEDL---ISLIPPSYEGNTITIEHTESYQTEAPN----MPPGDLAYLIYTSGTTGRPKGVLVDHHGIANTLQWRREEYSMTEQDISLHLFSYVFDGCVTSLFTPLLSGACVLLTTDDEAKDVLALKRKIARYKVSHMIIVPSLYRVLLEVMTADDAKSLRIVTFAGE-AVTPDLLELNQIICPSAELANEYGPTENSVATT--ILRHL-NKKERITIGHPIRNTKVFVLH-GNQMQPIGAAGELCISGAGLARGYYKQQELTQKAFSDHPFLEGERLYRTGDAGRFLPDGTIEYIGRFDDQVKIRGYRIELREIETVLRQAPGVKEAAVLARDVSAEEKELVAYIVPEKGNSLPDLYQHLAGTLPSYMIPASIINISQMPLTSSGKLDRFALPEPENNT-SVTYMAPRTLIEADLAHIWEDVLNKQHIGIRDDFFQLGGQSLKAAALVSRIHKKLNVELPLSEVFSYPTVESMAVKLMSLKEHAFTQIEPADQRDVYPLSFSQKRLYALHQLADDSTGYNMPAVLELRGNLNRQRLRSVLTELVNRHEALRTVFVLDRDEPVQIIYPEMAFDLKELEMESEQMLESAIETFIKPFYLSSGPLFRACVITMGNNRGFLLLDMHHIIADGVSMSTLVQEFTDLYCGKELPALNLHYKDFAVWQQEKHPKELYKKQEAYWLGQLGGSLPTLELPLDKTRPRLPDFRGGTIEVNIDKDMADELHRLMAETGTTLYMILLAVYSILLSKLSGQEDIVVGSPAAGRPHADLERVIGMFVNTLAMRSKPEGHKTFSSYLHDIRHLALTAYEHQDYPFEELADKLDTNREVNRNPLFDAMLVLQSSEDFRFEVPGLSISSVTPKHDISKFDLTLHAEEHLSGIRCRFEYSTALFEEETITQWASYFIELVKGVTADTEMRISNMQLLPAAERRLLLEKMGQYAAYPRNENIVSLFEKQVAQYPEHIAVVCGHSQLTYRDLNEKAERAAAMLIKQGVRTGDIVGLMLDRSPDMIIGVLSILKAGGAYLPIDPEYPKERISFMLNDSGAKLLLTERGLNKPADYTGHILYIDECENNSIPADVNIEEIVTDQPAYVIYTSGTTGQPKGVIVEHRNVISLLKHQNLPFEFNHEDVWTLFHSYCFDFSVWEMFGALLNGSTLVVVSKETARDPQAFRLLLKKERVTVLNQTPTAFYGLMLEDQNHTDHLNIRYVIFGGEALQPGLLQSWNEKYPHTDLINMYGITETTVHVTFKKLSAADIAKNKSNIGRPLSTLQAHVMDAHMNLQPTGVPGELYIGGEGVARGYLNRDELTADRFVSNPYLPGDRLYRTGDLAKRLSNGELEYLGRIDEQVKVRGHRIELGEIQAALLQYPMIKEAAVITRADEQGQTAIYAYMVIKDQQAANISDIRTYLKNALPDFMLPARMIQIDSIPVTVNGKLDQKALPEPEKQAYTADDISPRNEIETVMAEIWEELLNVDELGVSANFFKLGGDSIKALQVCARLKQRGFETTVREMFEHQTLGELSARVRKDVRAIDQGPVEGEITWTPIQQWFFSQSLESHHFNQSVMIYRAERFDEAALRKVLKSLVTHHDALRIVCRHEDGRQVQINRGIDLSDEELYALELFDVKDSLTEARNTIEEAASRMQEHIRLETGPLLHAGLFRTENGDHLFLTIHHLVVDAVSWRILFEDFSTAYKQAVSGESIKLPQKTDSYLTYSQRIADYSISRQVQREAAYWDECENRHIQPIPKDNDAASNTFKDTEVIDFELSRHHTELLLTAAHKAYSTEMNDILLTALGLALQKWTGNNQFKISMEGHGRESYLEDIDISRTVGWFTSIYPVWLDMRDSDHKDKEERLGHLIKQTKDMLHRIPHKGAGYGVLKYISKRWGSQKNSPEISFNYLGQFDQDIQSNAFEVSDIKPGNEISPNWERPYALDISGAVSSGCLNMHIIYNRFQFEEKTIQTFSRHFKQTLENIIEHCTGKENQEWSASDFTDEDLTLDELSEIMGAVNKL 2VSQ Chain:A ((8-1056)) -----QVQDMYYLSPMQEGMLFHAILNPGQSFYLEQITMKVKGSLNIKCLEESMNVIMDRYDVFRTVFIHE--KVKRPVQVVLKKRQFHIEEIDLTHLTGSEQTAKINEYKEQDKIRGFDLTRDIPMRAAIFKKAEESFEWVWSYHHIILDGWCFGIVVQDLFKVYNALREQKPYSLPPVKPYKDYIKWLEKQDKQASLRYWREYLEGFEGQTTFAEQRKKQKDG-YEPKELLFSPSEAETKAFTELAKSQHTTLSTALQAVWSVLISRYQQSGDLAFGTVVSGRPAEIKGVEHMVGLFINVVPRRVKLSEGITFNGLLKRLQEQSLQSEPHQYVPLYDIQSQAD-QPKLIDHIIVFENYPLQDAK----NEESSENGFDMVDVHVFEKSNYDLNLMASPGDEMLIKLAYNENVFDEAFILRLKSQLLTAIQQLIQNPDQPVSTINLVDDREREFLLTGLNPPAQAHETKPLTYWFKEAVNANPDAPALTYSGQTLSYRELDEEANRIARRLQKHGAGKGSVVALYTKRSLELVIGILGVLKAGAAYLPVDPKLPEDRISYMLADSAAACLLTHQEMKEQAAELP--YTGTTLFIDDQTRFEEQASDPATAIDPNDPAYIMYTSGTTGKPKGNITTHANIQGLVK-HVDYMAFSDQDTFLSVSNYAFDAFTFDFYASMLNAARLIIADEHTLLDTERLTDLILQENVNVMFATTALFNLLTDA-GEDWMKGLRCILFGGERASVPHVRKALRIMGP-GKLINCYGPTEGTVFATAHVVHDLPDSISSLPIGKPISNASVYILNEQSQLQPFGAVGELCISGMGVSKGYVNRADLTKEKFIENPFKPGETLYRTGDLARWLPDGTIEYAGRIDDQVKIRGHRIELEEIEKQLQEYPGVKDAVVVADRHESGDASINAYLVNRTQLSAEDVKAHLKKQLPAYMVPQTFTFLDELPLTTNGKVNKRLLPKPDQDQLAEEWIGPRNEMEETIAQIWSEVLGRKQIGIHDDFFALGGHALKAMTAASRIKKELGIDLPVKLLFEAPTIAGISAYL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2VSQ.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 : 5544 -216081 -38.98 -212.26 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -38.98 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.528

(partial model without unconserved sides chains): PDB file : Tito_2VSQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VSQ-query.scw PDB file : Tito_Scwrl_2VSQ.pdb: