Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQSAQIQDIYPLSHMQEGMLFHSLMDFSSKAYIEQTSFTITGNLCVDSFQKSLNLLVSRYDIFRTIFIKEVPDLTGPQQVVLSNRELTVYREDISRLADQEQQTLIDAFMTKDREKGFDLQKDPLMRLALFDRGDSQYTCVWTHHHIIMDGWCLGIILKEFFSMYDSLKNNSPVQLGSTVPYSRYIEWLGEQDQEETAAYWSEYLKEYGNTASIPRIKRRTADGNYKADQVSFSLAPDMVEKLTEAAQNWGVTLNTLFMSIWGVLLHRYNAADDAVFGSVISGRPSAIDGIESMVGLFINTVPVRIRSAEGITFSSLVKAVQEDILSSEQHGYYPLYEIQNHSPLKQGLIDHIFVFENYPVQLHQALSVESENDEGALKLSDISMSEQTNYDFNIVIVPGESFYIKFSYNADVYEREEMLRIQGHLKQALDCILTNPDVAVSDINIVPPEEQQVIQLFNETERPYVNKTIPQLFEEQAHKTPEAAALKMGNECWTYRQLQVRANQIAHALIEKGVGSGDIVAVMMGRSMEMPAALLGIWKAGGAYMPLDPHFPAERLSFLLKDSQAAQLLIEEDLISLIPPSYEGNTITIEHTESYQTEAPNMPPGDLAYLIYTSGTTGRPKGVLVDHHGIANTLQWRREEYSMTEQDISLHLFSYVFDGCVTSLFTPLLSGACVLLTTDDEAKDVLALKRKIARYKVSHMIIVPSLYRVLLEVMTADDAKSLRIVTFAGEAVTPDLLELNQIICPSAELANEYGPTENSVATTILRHLNKKERITIGHPIRNTKVFVLHGNQMQPIGAAGELCISGAGLARGYYKQQELTQKAFSDHPFLEGERLYRTGDAGRFLPDGTIEYIGRFDDQVKIRGYRIELREIETVLRQAPGVKEAAVLARDVSAEEKELVAYIVPEKGNSLPDLYQHLAGTLPSYMIPASIINISQMPLTSSGKLDRFALPEPENNTSVTYMAPRTLIEADLAHIWEDVLNKQHIGIRDDFFQLGGQSLKAAALVSRIHKKLNVELPLSEVFSYPTVESMAVKLMSLKEHAFTQIEPADQRDVYPLSFSQKRLYALHQLADDSTGYNMPAVLELRGNLNR-QRLRSVLTELVNRHEALRTVFVLDRDEPVQIIYPEMAFDLKELEME--SEQMLES-AIETFIKPFYLSSGPLFRACVITMGNNRGFLLLDMHHIIADGVSMSTLVQEFTDLYCGKE--LPALNLHYKDFAVWQQEKHPKELYKKQEAYWLGQLGGSLPTLELPLDKTRPRLPDFRGGTIEVNIDKDMADELHRLMAETGTTLYMILLAVYSILLSKLSGQEDIVVGSPAAGRPHADLERVIGMFVNTLAMRSKPEGHKTFSSYLHDIRHLALTAYEHQDYPFEELADKLDTNREVNRNPLFDAMLVLQSSEDFRFE--------------VPGLSISSVTPKHDISKFDLTLHAEE-HLSGIRCRFEYSTALFEEETITQWASYFIELVKGVTADTEMRISNMQLLPAAERRLLLEKMGQYAAYPRNENIVSLFEKQVAQYPEHIAVVCGHSQLTYRDLNEKAERAAAMLIKQGVRTGDIVGLMLDRSPDMIIGVLSILKAGGAYLPIDPEYPKERISFMLNDSGAKLLLTERGLNKPADYTGHILYIDECENNSIPADVNIEEIVTDQPAYVIYTSGTTGQPKGVIVEHRNVISLLKHQNLPFEFNHEDVWTLFHSYCFDFSVWEMFGALLNGSTLVVVSKETARDPQAFRLLLKKERVTVLNQTPTAFYGLMLEDQNHTDHLNIRYVIFGGEALQPGLLQSWNEKYPHTDLINMYGITETTVHVTFKKLSAADIAKNKSNIGRPLSTLQAHVMDAHMNLQPTGVPGELYIGGEGVARGYLNRDELTADRFVSNPYL-PGDRLYRTGDLAKRLSNGELEYLGRIDEQVKVRGHRIELGEIQAALLQYPMIKEAAVITRADEQGQTAIYAYMVIKDQQAANISDIRTYLKNALPDFMLPARMIQIDSIPVTVNGKLDQKALPEPEKQAYTADDISPRNEIETVMAEIWEELLNVDELGVSANFFKLGGDSIKALQVCARLKQR-GFETTVREMFEHQTLGELSARVRKDVRAIDQGPVEGEITWTPIQQWFFSQSLESHHFNQSVMIYRAERFDEAALRKVLKSLVTHHDALRIVCRHEDGRQVQINRGIDLSDEELYALELFDVKDSLTEARNTIEEAASRMQEHIRLETGPLLHAGLFRTENGDHLFLTIHHLVVDAVSWRILFEDFSTAYKQAVSGESIKLPQKTDSYLTYSQRIADYSISRQVQREAAYWDECENRHIQPIPKDNDAASNTFKDTEVIDFELSRHHTELLLTAAHKAYSTEMNDILLTALGLALQKWTGNNQFKISMEGHGRESYLEDIDISRTVGWFTSIYPVWLDMRDSDHKDKEERLGHLIKQTKDMLHRIPHKGAGYGVLKYISKRWGSQKNSPEISFNYLGQFDQDIQSNAFEVSDIKPGNEISPNWERPYALDISGAVSSGCLNMHIIYNRFQFEEKTIQTFSRHFKQTLENIIEHCTGKENQEWSASDFTDEDLTLDELSEIMGAVNKL 4ZXH Chain:A ((12-1047)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EVLSRHAISSEQLGIWYIQRLEPTCSAYNMVVAFDVKVNQSLGNKPIEILEAVMHDYPLLRVSMPANDQGIEQLIWDRVYPNIIFSDARHIEASDLTQLVEQDTKQPFDLTQPPLWRIHCYECGQNHYVIAFVIHHALMDFWSIGLLLRDVSKRFGLVAESDAVNGIEFVQYADKQQSSV-IDDTDESLIFWKNALKHAPHVHSIPLDYPRPAVQQHKGSSLVFRVSESVSSGLVNLAKDYEITLFGLVLSGFYVLLHKLSNENNLVIATPVAGRLERSLRNALGQFVNTIAIHMDIDADQTLRQFTQQVQEQLRQSLKHQKIAFSRVVEAVSPKRDGSINPLAQIGMFWERLGGMDEFKELLLPIQTPATLVGQDLTLGSFPVRQQEGQLDITLEMGGEYQGELVGVLKYNTDLFSAQSAENMVQLLQAVLSEMVAHPERKIVELDIAPDYKDGIQFEALRGKATDYAQHDLFAMILKQIDERGDNHALTS--HTVSYRELGQHIAGIAEYLRAHGITQGDRVGLMLDRTALLPAAILGIWAAGAAYVPLDPNFPTERLQNIIEDAEPKVILTQTELMDGLNVSVPRLDINQAGVVAL--EQVRETLAFGDIAYVMYTS----KPKGVRIGHPSIINFLLSMNDRLQVTTETQLLAITTYAFDISILELLIPLMYGGVVHVCPREVSQDGIQLVDYLNAKSINVLQATPATWKMLLDSEW---SGNAGLTALCGGEALDTILAEKLLGKV--GCLWNVYGPTETTVWSSAARITDA----KYIDLGEPLANTQLYVLDEQQRLVPPGVMGELWIGGDGLAVDYWQRPELTDAQFRTLPSLPNAGRLYRTGDKVCLRTDGRLTHHGRLDFQVKIRGFRIELGEIENVLKQIDGITDAVVLVKTTGDNDQKLVAYVTGQE---LDIAGLKKNLQIHLPAYMVPSAFIRLDEFPMTANKKLDRKAFPEPIFEQ-SNDYVAPRDPIEIELCTTFEQILSVKRVGIHDDFFELGGHSLLAVKLVNHLKKAFGTELSVALLAQYSTVERLGEIIREN-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 5683 -194 -0.03 -0.19 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -0.03 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.440

(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: