Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQQPEIQDIYPLSFMQEGMLFHSLYDEQSRAYFEQASFTIHGQLDLERFQKSMDAVFDRYDIFRTAFIYKNVAKPRQVVLKQRHCPIHIEDISHLNERDKEHCTEAFKEQDKSKGFDLQTDVLMRISILKWAPDHYVCIWSHHHILMDGWCLGIVIKDFLHIYQALGKGQLPDLPPVQPYGTYIKWLMQQDREEAAEYWKKRLQHFEKSTPLPKRTDQIPNG-TLQQITFAIPEKETAELQKIAAASGATLNTVFQALWGIMLQKVNRSSDAVFGSVISGRPSELKDVENMVGLFINTIPIRAQ-SDSLSFSDLVRRMQKDMNEAEAYSYFPLYDIQAQSALKQELIDHIIVFENTPTQQEIEELNQAGSFDFSVKDFEMEEVTNYSCSVKVIPGRTLYVRIHFQTSAYQPSMMSEIKDYLLHMVSDVISDPSLPVSKMTLLDEDKTRKIVSQNNRTVSVSPEAPTLHGLFERQAAVTPERLAIRFSGGSLTYAELDMYASRLAAHLAARGVTNESIVGVLSERSPDMLIAVLAVLKAGGAYLPLDPAYPKERLSYMLKDSGASLLLT-----QPGCSAPNFSGETLEVDMTSLECEEVKRHVSASVSDGSLAYVIYTSGSTGQPKGVAVEHRQAVSFLTGMQHQFRLSEDDIVMVKTSFSFDASVWQLFWWALSGASAYLLPPGWEKDSALIVQAIHQENVTTAHFIPAMLNSFLDQAEIERLSDRTSLKRVFAGGEPLAPRTAARFASVLPQVSLIHGYGPTEATVDAAFYVLDPERDRDRLRIPIGKPVPGARLYVLDPHLAVQPSGVAGELYIAGAGVARGYLNRPALTEERFLEDPFYLGERMYKTGDVARWLPDGNVEFLGRTDDQVKIRGYRIEPGEIEAALRSIEGVREAAVTV-RTDSGEPELCAYVEG---LQRNEVRAQLQRLLPGYMVPAYMIEMEQWPVTPSGKLDRNALPAPGGAADAETYTAPRNVTEMKLSQLWEDVLKNGPVGIHDNFFDRGGHSLKATALVSRIAKEFDVQVPLKDVFAHPTVEGLATVIREGTDSPYEAIKPAEKQETYPVSSAQKRIYVLQQLEDGGTGYNMPAVLELEGKLNLERMDRAFKELIKRHESLRTAFEQDAGGDPVQRIHDEVPFTLQTTVLGARTEEEAAAAFIKPFDLSQAPLFRAQIVKVSDERHLLLVDMHHIISDGVSVNILIREFGELYNNRKLPALRIQYKDYAVWQEGFKTGDAYKTQGAYWLKQLEGELPVLDLPADHARPPMRSFAGDKVSFTLDQEVTSGLYKLARENGSTLYMVLLAAYTAFLSRLSGQEDIIVGSPIAGRPHKDLEPILGMFVNTLALRTRPEGGKPFVQYLQEVRETAMEAFEHQDYPFEELVDKLELTRDMSRNPLFDVMFVLQNMDQESLELDELCLKPAANNGHQTSKFDLTLYAQEQPRGLLTFQMEFSTDLYKKKTIEKWLQYFNNMLLSIIKDNKAALGTINILNEDEAHYLIHELNRTKIDYPRNETISRLFEMQAEQTPNAVAIVSDTQVFTYEDLNSWANQIASVLQIKGVGPDSVVALLTGRTPELIAGMLGILKAGGAYLPIDSNLPVERIAYMLSDSRAALLLQSEKTEKRLLGIECEQIIIEDIQKQGEAKNVESSAGPHSLAYIIYTSGSTGKPKGVMIEQRSVIRLVKNSNYITFTPEDRLLMTSSIGFDVGSFEIFGPLLNGAALHLSDQQTFLDSHQLKRYIEHQGITTIWLTSSLFNHLTEQNEQTFSQLKHLIIGGEALSPSHVNRIRNVCPEVSIWNGYGPTENTTFSTCLHIQKTYELSIPIGRPVGNSTAFILNQWGVLQPVGAVGELCVGGDGVARGYLGRPDLTKEKFVPHPFAPGDRLYRTGDLARWLSDGTIEYVGRIDDQVKVRGYRVELGEIETALRQIDGVKEAAVLARTAQTGSKELFGYISVKAGTNAEQVRSLLARSLPNYMIPAYIIEMETLPLTSNGKLNRKALPEPDVASKQTYIPPRNELEEQLALIWQEVLGIQRIGIEDSFFELGGDSIKALQVSARLGRYGLSLQVSDLFRHPKIKDLSPFIRKSERIIEQGPIQGDVPWTPVQQWFFSQDIEERHHFNQSVMLFHSGRLSENALRPALKKLAEHHDALRMVYRNDDRRWIQINQGIHESQLYSLRISDLSQSESGWETKIKQEVADLQQSINLQEGPLLHAALFKTLTGDYLFLAIHHLVVDGVSWRILLEDLSAGYQQAAAGQTIQLPPKTDSYQEYARRIQEYAQSSKLIREEAYWRSVEEQQAAELPYEIPHHVNIDFSKRDSLSFSLTEADTAVLLQNVNHAYGTDTQDILLTAASLAICEWTGGSKLRIAMEGHGREHILPELDISRTVGWFTSMYPALISFENHRDELGTSVKTVKDTLGRIPNKGVGYGMLKYLTHPENKSITFSKTPEISFNYLGQFNDIERQDTFRPSSLGSGKDITHTWKREQIIEMSAMAADKKLHFNLSYPPARFHRNTMEQLINRIEHFLLDIMKHCAGQQKAEKTLSDFSSQSLTAEDLDSISSLVEEL 2VSQ Chain:A ((8-1059)) -----QVQDMYYLSPMQEGMLFHAILNPGQSFYLEQITMKVKGSLNIKCLEESMNVIMDRYDVFRTVFIHEKVKRPVQVVLKKRQFHIEEIDLTHLTGSEQTAKINEYKEQDKIRGFDLTRDIPMRAAIFKKAEESFEWVWSYHHIILDGWCFGIVVQDLFKVYNALREQKPYSLPPVKPYKDYIKWLEKQDKQASLRYWREYLEGFEGQTTFAEQRKKQKDGYEPKELLFSPSEAETKAFTELAKSQHTTLSTALQAVWSVLISRYQQSGDLAFGTVVSGRPAEIKGVEHMVGLFINVVPRRVKLSEGITFNGLLKRLQEQSLQSEPHQYVPLYDIQSQ-ADQPKLIDHIIVFENYPLQDAKNEESSENGFD--MVDVHVFEKSNYDLNLMASPGDEMLIKLAYNENVFDEAFILRLKSQLLTAIQQLIQNPDQPVSTINLVD-DREREFLLTGLNPPAQAHETKPLTYWFKEAVNANPDAPALTYSGQTLSYRELDEEANRIARRLQKHGAGKGSVVALYTKRSLELVIGILGVLKAGAAYLPVDPKLPEDRISYMLADSAAACLLTHQEMKEQAAELP-YTGTTLFIDDQT-RFEEQASDPATAIDPNDPAYIMYTSGTTGKPKGNITTHANIQGLVKHVDY-MAFSDQDTFLSVSNYAFDAFTFDFYASMLNAARLIIADEHTLLDTERLTDLILQENVNVMFATTALFNLLTDAGE----DWMKGLRCILFGGERASVPHVRKALRIMGPGKLINCYGPTEGTVFATAHVVHDLPDSIS-SLPIGKPISNASVYILNEQSQLQPFGAVGELCISGMGVSKGYVNRADLTKEKFIENPFKPGETLYRTGDLARWLPDGTIEYAGRIDDQVKIRGHRIELEEIEKQLQEYPGVKDAVVVADRHESGDASINAYLVNRTQLSAEDVKAHLKKQLPAYMVPQTFTFLDELPLTTNGKVNKRLLPKPDQDQLAEEWIGPRNEMEETIAQIWSEVLGRKQIGIHDDFFALGGHALKAMTAASRIKKELGIDLPVKLLFEAPTIAGISAYLKNG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 5610 -656 -0.12 -0.64 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -0.12 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.513

(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: