Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQSAQIQDIYPLSHMQEGMLFHSLMDFSSKAYIEQTSFTITGNLCVDSFQKSLNLLVSRYDIFRTIFIKEVPDLTGPQQVVLSNRELTVYREDISRLADQEQQTLIDAFMTKDREKGFDLQKDPLMRLALFDRGDSQYTCVWTHHHIIMDGWCLGIILKEFFSMYDSLKNNSPVQLGSTVPYSRYIEWLGEQDQEETAAYWSEYLKEYGNTASIPRIKRRTADGNYKADQVSFSLAPDMVEKLTEAAQNWGVTLNTLFMSIWGVLLHRYNAADDAVFGSVISGRPSAIDGIESMVGLFINTVPVRIRSAEGITFSSLVKAVQEDILSSEQHGYYPLYEIQNHSPLKQGLIDHIFVFENYPVQLHQALSVESENDEGALKLSDISMSEQTNYDFNIVIVPGESFYIKFSYNADVYEREEMLRIQGHLKQALDCILTNPDVAVSDINIVPPEEQQVIQLFNETERPYVNKTIPQLFEEQAHKTPEAAALKMGNECWTYRQLQVRANQIAHALIEKGVGSGDIVAVMMGRSMEMPAALLGIWKAGGAYMPLDPHFPAERLSFLLKDSQAAQLLIEEDLISLIPPSYEGNTITIEHTESYQTEAPNMPPGDLAYLIYTSGTTGRPKGVLVDHHGIANTLQWRREEYSMTEQDISLHLFSYVFDGCVTSLFTPLLSGACVLLTTDDEAKDVLALKRKIARYKVSHMIIVPSLYRVLLEVMTADDAKSLRIVTFAGEAVTPDLLELNQIICPSAELANEYGPTENSVATTILRHLNKKERITIGHPIRNTKVFVLHGNQMQPIGAAGELCISGAGLARGYYKQQELTQKAFSDHPFLEGERLYRTGDAGRFLPDGTIEYIGRFDDQVKIRGYRIELREIETVLRQAPGVKEAAVLARDVSAEEKELVAYIVPEKGNSLPDLYQHLAGTLPSYMIPASIINISQMPLTSSGKLDRFALPEPENNTSVTYMAPRTLIEADLAHIWEDVLNKQHIGIRDDFFQLGGQSLKAAALVSRIHKKLNVELPLSEVFSYPTVESMAVKLMSLKEHAFTQIEPADQRDVYPLSFSQKRLYALHQLADDSTGYNMPAVLELRGNLNRQRLRSVLTELVNRHEALRTVFVLDR-DEPVQIIYPEMAFDLKELEME------SEQMLES-AIETFIKPFYLSSGPLFRACVITMGNNRGFLLLDMHHIIADGVSMSTLVQEFTDLYCGKE-----LPALNLHYKDFAVWQQEKHPKELYKKQEAYWLGQLGGSLPTLELPLDKTRPRLPDFRGGTIEVNIDKDMADELHRLMAETGTTLYMILLAVYSILLSKLSGQEDIVVGSPAAGRPH--ADLERVIGMFVNTLAMRSKPEGHKTFSSYLHDIRHLALTAYEHQDYPFEELADKLDTNREVNRNPLFDAMLVLQSSEDFRFE-----VPGLSISSVTPKHDISKFDLTLHAEEHLSGIRCRFEYSTALFEEETITQWASYFIELVKGVTADTEMRISNMQLLPAAERRLLLEKMGQYAAYPRNENIVSLFEKQVAQYPEHIAVVCGHSQLTYRDLNEKAERAAAMLIKQGVRTGDIVGLMLDRSPDMIIGVLSILKAGGAYLPIDPEYPKERISFMLNDSGAKLLLTERGLNKPADY---TGHILYIDECENNSIPADVNIEEIVTDQPAYVIYTSGTTGQPKGVIVEHRNVISLLKHQNLPFEFNHEDVWTLFHSYCFDFSVWEMFGALLNGSTLVVVSKETARDPQAFRLLLKKERVTVLNQTPTAFYGLMLEDQNHTDHLNIRYVIFGGEALQPGLLQSWNEKYPHTDLINMYGITETTVHVTFKKLSAADIAKNKSNIGRPLSTLQAHVMDAHMNLQPTGVPGELYIGGEGVARGYLNRDELTADRFVSNPYLPGDRLYRTGDLAKRLSNGELEYLGRIDEQVKVRGHRIELGEIQAALLQYPMIKEAAVITRADEQGQTAIYAYMVIKDQQAANISDIRTYLKNALPDFMLPARMIQIDSIPVTVNGKLDQKALPEPEKQAYTADDISPRNEIETVMAEIWEELLNVDELGVSANFFKLGGDSIKALQVCARLKQR-GFETTVREMFEHQTLGELSARVRKDVRAIDQGPVEGEITWTPIQQWFFSQSLESHHFNQSVMIYRAERFDEAALRKVLKSLVTHHDALRIVCRHEDGRQVQINRGIDLSDEELYALELFDVKDSLTEARNTIEEAASRMQEHIRLETGPLLHAGLFRTENGDHLFLTIHHLVVDAVSWRILFEDFSTAYKQAVSGESIKLPQKTDSYLTYSQRIADYSISRQVQREAAYWDECENRHIQPIPKDNDAASNTFKDTEVIDFELSRHHTELLLTAAHKAYSTEMNDILLTALGLALQKWTGNNQFKISMEGHGRESYLEDIDISRTVGWFTSIYPVWLDMRDSDHKDKEERLGHLIKQTKDMLHRIPHKGAGYGVLKYISKRWGSQKNSPEISFNYLGQFDQDIQSNAFEVSDIKPGNEISPNWERPYALDISGAVSSGCLNMHIIYNRFQFEEKTIQTFSRHFKQTLENIIEHCTGKENQEWSASDFTDEDLTLDELSEIMGAVNKL 2VSQ Chain:A ((8-1059)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QVQDMYYLSPMQEGMLFHAILNPGQSFYLEQITMKVKGSLNIKCLEESMNVIMDRYDVFRTVFIHEKVKRPVQVVLKKRQFHIEEIDLTHLTGSEQTAKINEYKEQDKIRGFDLTRDIPMRAAIFKKAEESFEWVWSYHHIILDGWCFGIVVQDLFKVYNALREQKPYSLPPVKPYKDYIKWLEKQ----DKQASLRYWREYLEGFEGQTTFAEQRKKQ-KDGYEPKELLFSPSEAETKAFTELAKSQHTTLSTALQAVWSVLISRYQQSGDLAFGTVVSGRPAEIKGVEHMVGLFINVVPRRVKLSEGITFNGLLKRLQEQSLQSEPHQYVPLYDIQSQADQ------PKLIDHIIVFENYPLQDAKNEESSENGFDMVDV-HVFEKSNYDLNLMASP-GDEMLIKLAYNENVFDEAFILRLKSQLLTAIQQLIQNPDQPVSTINLVDDREREFLLTGLNPPAQAHETKPLTYWFKEAVNANPDAPALTYSGQTLSYRELDEEANRIARRLQKHGAGKGSVVALYTKRSLELVIGILGVLKAGAAYLPVDPKLPEDRISYMLADSAAACLLTHQEMKEQAAELPYTGTTLFIDDQTRFEEQASDPATAIDPNDPAYIMYTSGTTGKPKGNITTHANIQGLVKHV-DYMAFSDQDTFLSVSNYAFDAFTFDFYASMLNAARLIIADEHTLLDTERLTDLILQENVNVMFATTALFNLLTDAG--EDWMKGLRCILFGGERASVPHVRKALRIMGPGKLINCYGPTEGTVFATAHVVHDLPDSISSLPIGKPISNASVYILNEQSQLQPFGAVGELCISGMGVSKGYVNRADLTKEKFIENPFKPGETLYRTGDLARWLPDGTIEYAGRIDDQVKIRGHRIELEEIEKQLQEYPGVKDAVVVADRHESGDASINAYLVNRT--QLSAEDVKAHLKKQLPAYMVPQTFTFLDELPLTTNGKVNKRLLPKPDQDQLAEEWIGPRNEMEETIAQIWSEVLGRKQIGIHDDFFALGGHALKAMTAASRIKKELGIDLPVKLLFEAPTIAGISAYLKNG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 5496 67399 12.26 66.67 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 12.26 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.465

(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: