Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQQPEIQDIYPLSFMQEGMLFHSLYDEQSRAYFEQASFTIHGQLDLERFQKSMDAVFDRYDIFRTAFIYKNVAKPRQVVLKQRHCPIHIEDISHLNERDKEHCTEAFKEQDKSKGFDLQTDVLMRISILKWAPDHYVCIWSHHHILMDGWCLGIVIKDFLHIYQALGKGQLPDLPPVQPYGTYIKWLMQQDREEAAEYWKKRLQHFEKSTPLPKRTDQIPNGTLQQITFAIPEKETAELQKIAAASGATLNTVFQALWGIMLQKVNRSSDAVFGSVISGRPSELKDVENMVGLFINTIPIRAQSDSLSFSDLVRRMQKDMNEAEAYSYFPLYDIQAQSALKQELIDHIIVFENTPTQQEIEELNQAGSFDFSVKDFEMEEVTNYSCSVKVIPGRTLYVRIHFQTSAYQPSMMSEIKDYLLHMVSDVISDPSLPVSKMTLLDEDKTRKIVSQNNRTVSVSPEAPTLHGLFERQAAVTPERLAIRFSGGSLTYAELDMYASRLAAHLAARGVTNESIVGVLSERSPDMLIAVLAVLKAGGAYLPLDPAYPKERLSYMLKDSGASLLLTQPGCSAPNFSGETLEVDMTSLECEEVKRHVSASVSDGSLAYVIYTSGSTGQPKGVAVEHRQAVSFLTGMQHQFRLSEDDIVMVKTSFSFDASVWQLFWWALSGASAYLLPPGWEKDSALIVQAIHQENVTTAHFIPAMLNSFLDQAEIERLSDRTSLKRVFAGGEPLAPRTAARFASVLPQVSLIHGYGPTEATVDAAFYVLDPERDRDRLRIPIGKPVPGARLYVLDPHLAVQPSGVAGELYIAGAGVARGYLNRPALTEERFLEDPFYLGERMYKTGDVARWLPDGNVEFLGRTDDQVKIRGYRIEPGEIEAALRSIEGVREAAVTVRTDSGEPELCAYVEGLQRNEVRAQLQRLLPGYMVPAYMIEMEQWPVTPSGKLDRNALPAPGGAADAETYTAPRNVTEMKLSQLWEDVLKNGPVGIHDNFFDRGGHSLKATALVSRIAKEFDVQVPLKDVFAHPTVEGLATVIREGTDSPYEAIKPAEKQETYPVSSAQKRIYVLQQLEDGGTGYNMPAVLELEGKLNLERMDRAFKEL---IKRHESLRTAF-EQDAGGDPV--QRIHDEVPFTLQTTVLGARTEEEAAAAFIKPFDLSQAPLFRAQIVKVSDERHLLLVDMHHIISDGVSVNILIRE----FGELYNNRKLPALRIQYKDYAVWQEGFKTGDAYKTQGAYWLKQLEGELPVLDLPADHARPPMRSFAGDKVSFTLDQEVTSGLYKLARENGSTLYMVLLAAYTAFLSRLSGQEDIIVGSPIAGRPHKDLEPILGMFVNTLALRTRPEGGKPFVQYLQEVRETAMEAFEHQDYPFEELVDKLELTRDMSRNPLFDV-MF--VLQNMDQESLELDELCL---KPAANNG-----------HQTSKFDLTLYAQEQPRGLLTFQMEFSTDLYKKKTIEKWLQYFNNMLLSIIKDNKAALGTINILNEDEAHYLIHELNRTKIDYPRNETISRLFEMQAEQTPNAVAIVSDTQVFTYEDLNSWANQIASVLQIKGVGPDSVVALLTGRTPELIAGMLGILKAGGAYLPIDSNLPVERIAYMLSDSRAALLL-QSEKTEKRLLGIECEQIIIEDIQKQGEA--KNVESSAGPHSLAYIIYTSGSTGKPKGVMIEQRSVIR-LVKNSNYITFTPEDRLLMTSSIGFDVGSFEIFGPLLNGAALHLSDQQTFLDSHQLKRYIEHQGITTIWLTSSLFNHLTEQNEQTFSQLKHLIIGGEALSPSHVNRIRNVCPEVSIWNGYGPTENTTFSTCLHIQKTYELSIPIGRPVGNSTAFILNQWGVLQPVGAVGELCVGGDGVARGYLGRPDLTKEKFVPHPFAP-GDRLYRTGDLARWLSDGTIEYVGRIDDQVKVRGYRVELGEIETALRQIDGVKEAAVLARTAQTGSKELFGYISVKAGTNAEQVRSLLARSLPNYMIPAYIIEMETLPLTSNGKLNRKALPEPDVASKQTYIPPRNELEEQLALIWQEVLGIQRIGIEDSFFELGGDSIKALQVSARLGR-YGLSLQVSDLFRHPKIKDLSPFIRKSERIIEQGPIQGDVPWTPVQQWFFSQDIEERHHFNQSVMLFHSGRLSENALRPALKKLAEHHDALRMVYRNDDRRWIQINQGIHESQLYSLRISDLSQSESGWETKIKQEVADLQQSINLQEGPLLHAALFKTLTGDYLFLAIHHLVVDGVSWRILLEDLSAGYQQAAAGQTIQLPPKTDSYQEYARRIQEYAQSSKLIREEAYWRSVEEQQAAELPYEIPHHVNIDFSKRDSLSFSLTEADTAVLLQNVNHAYGTDTQDILLTAASLAICEWTGGSKLRIAMEGHGREHILPELDISRTVGWFTSMYPALISFENHRDELGTSVKTVKDTLGRIPNKGVGYGMLKYLTHPENKSITFSKTPEISFNYLGQFNDIERQDTFRPSSLGSGKDITHTWKREQIIEMSAMAADKKLHFNLSYPPARFHRNTMEQLINRIEHFLLDIMKHCAGQQKAEKTLSDFSSQSLTAEDLDSISSLVEEL 4ZXH Chain:A ((17-1050)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HAISSEQLGIWYIQRLEPTCSAYNM--VVAFDVKVNQSLGNKPIEILEAVMHDYPLLRVSMPANDQGIEQLIWDRVYPNIIFSDARHIEASDLTQLVEQDTKQPFDLTQPPLWRIHCYECGQNHYVIAFVIHHALMDFWSIGLLLRDVSKRFGLVAESDAVNG--IEFVQYADKQQSSVIDDTDESL-IFWKNALKHAPHVHSIPLDYPRPAVQQHKGSSLVFRVSESVSSGLVNLAKDYEITLFGLVLSGFYVLLHKLSNENNLVIATPVAGRLERSLRNALGQFVNTIAIHMDIDADQTLRQFTQQVQEQLRQSLKHQKIAFSRVVEAVSPKRDGSINPLAQIGMFWERLGGMD----EFKELLLPIQTPATLVGQDLTLGSFPVRQQEGQLDITLEMGGEYQGELVGVLKYNTDLFSAQSAENMVQLLQAVLSEMVAHPERKIVELDIAPDYKDGIQFEALRGKATDYAQHDLFAMILKQIDERGDNH-ALTS--HTVSYRELGQHIAGIAEYLRAHGITQGDRVGLMLDRTALLPAAILGIWAAGAAYVPLDPNFPTERLQNIIEDAEPKVILTQTELMDG--LNVSVPRL---DINQAGVVALEQVRETLAFGDIAYVMYTS----KPKGVRIGHPSIINFLLSMNDRLQVTTETQLLAITTYAFDISILELLIPLMYGGVVHVCPREVSQDGIQLVDYLNAKSINVLQATPATWKMLLDSEWSGNAGLTAL-CGGEALDTILAEKLLGKVG--CLWNVYGPTETTVWSSAARI--TDAKYIDLGEPLANTQLYVLDEQQRLVPPGVMGELWIGGDGLAVDYWQRPELTDAQFRTLPSLPNAGRLYRTGDKVCLRTDGRLTHHGRLDFQVKIRGFRIELGEIENVLKQIDGITDAVVLVKTTGDNDQKLVAYVTGQE-LDIAGLKKNLQIHLPAYMVPSAFIRLDEFPMTANKKLDRKAFPEPIFEQSNDYVAPRDPIEIELCTTFEQILSVKRVGIHDDFFELGGHSLLAVKLVNHLKKAFGTELSVALLAQYSTVERLGEIIRENKEI--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZXH.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 : 5628 119919 21.31 120.52 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 21.31 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.460

(partial model without unconserved sides chains): PDB file : Tito_4ZXH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZXH-query.scw PDB file : Tito_Scwrl_4ZXH.pdb: