Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQIPLKPQNERFTDDQWQAIFDQGDNLLVSASAGSGKTTVLVRRVIEKLKM---GFDIDELLIVTFTEAAAREMKERIQEALQEAVNSESDPVRRQHFTKQLVLLPTANISTLHAFCLTVIRRYYYLIDIDPVFRMLTDETETILMKEDVWDELREALYAENDERFFQLTMNFSNDRSDDGLTNLVFSLYEFARANPDPKKWLEQLSDNY--------------R-LPEGL--AKSRLYQEQIRPLV---LADIYQCVQLYEQMTQLAQGEGLEKMHEQVAGEQQQIKNIYEAFSQDRLEEAYAGLEQLTFSTFKSSRKAELKE-ISNEVKGMRDKAKKLIQQISKSYFPVSPSQMEELTDKALPLVEEMTKVTQSFMDGFSMRKREKGVLDFNDLEHLALQILTEKTKDAWLPSEASKHYRKKFKEVMVDEYQDVNQLQEAILYWLREPDDTKGNMFMVGDVKQSIYSFRLADPSLFIGKYENFS-KK-EGGRRIVLAENFRSRKEVLSFTNLIFEQLMDPAVGQINYDEAAKL--IQGFSDFPENEQFEPEIMIYEKEQEESEIEIPTDDILEDKTEGELFMTGLKIRQLIDSSFMIYDKKSKKSRPIEYKDIVLLTPTKKNNLTILEIFKTLDIPLEMKDAQNYFQATEIRTMISLLQLIDNPYQDIPLAAVLRSPIVGLIEPELASIRLADRAHTYYDAVLAYQAS--NEDELAAKLEHFGKQLEHWRELARRSSITDLLWDIYYETGYLEYVVGLPAGAQRQANLYALVDRAKAYEQSSFRGLYQFVRFIEKMQEKDKDLAEPVISIEDNAVRVMTIHASKGLEFPVVFLLDMTKEFNLQDLRNRYAFEEKLG-AGIRYMDPETRVLYDTLPFQAIKLVKQNKLLSEEMRKLYVGLTRAEQKLFIVGSYKNKEQMIQTWSEAADHEELVFDPALRLKGRSSLMN-WIGYGLIRHP-E-M-----------QKYLEEEISTSLLQHSNAQFSISWMNQQSIIEQRQLLAEKELVN---LDQQM--K--EDETLLADSLQKRLAYEYPYQASSQTTSYQSVSEIKRLFED------PDDTQESRLTLESSQNKAASRQFRYTQEQLAEPKFLQKDRQVSAAAVGTATHALLQLLPLEMPTTES-IHQKLQELVRKRLVDEKVAKKVDVSSIIWFFQTELGQQLIANKENVKREQPFSMLLPADEVFQDYPNQEDELLIHGIVDGYLEEKDHLNIYDFKTDFILHPDD--PAEIDAIVQKYQGQLRLYQQAMSEALNKPVENVFLILLRVKQIININK 3U4Q Chain:A ((10-1231)) -----------TWTDDQWNAIVSTGQDILVAAAAGSGKTAVLVERMIRKITAEENPIDVDRLLVVTFTNASAAEMKHRIAEALEKELVQR---PGSLHIRRQLSLLNRASISTLHSFCLQVLKKYYYLIDLDPGFRIA-DQTEGELIGDEVLDELFEDEYAKGEKAFFELVDRYTTDRHDLDLQFLVKQVYEYSRSHPNPEAWLESFVHLYDVSEKSAIEELPFYQYVKEDIAMVLNGAKEKL-LRALELT-DNFLDDLAQIDELIQH-QD-DFSELYKRVP-AV-S------------------------------------DPALLDEATDLRNGAKKLLEKLKTDYFTRSPEQHLKSLAEMKPVIETLVQLVISYGKRFEAAKQEKSIIDFSDLEHYCLAILTAEND--REPSEAARFYQEQFHEVLVDEYQDTNLVQESILQLVTSGPEETGNLFMVGDVKQSIYRFRLAEPLLFLSKYKRFTESGEGTGRKIDLNKNFRSRADILDSTNFLFKQLMGGKIGEVDYDEQAELKLGAAYP---DNDETETELLLID----------------LETVQFEAKAIAKEIRKLISSPFKVY---KKTHRNIQYRDIVILLRSMPWAPQIMEELRAQGIPVYANLTSGYFEAVEVAVALSVLKVIDNPYQDIPLASVLRSPIVGADENELSLIRLENKKAPYYEAMKDYLAAGDRSDELYQKLNTFYGHLQKWRAFSKNHSVSELIWEVYRDTKYMDYVGGMPGGKQRQANLRVLYDRARQYESTAFRGLFRFLRFIERMQERGD---------QEDVVRLMTIHSSKGLEFPVVFVAGLGRN-FNMMDLNKSYLLDKELGFGTKYIHPQLRISYPTLPLIAMKKKMRRELLSEELRVLYVALTRAKEKLFLIGSCKDHQKQLAKW----------QA--------SASQTDWLLPEFDRYQARTYLDFIGPALARHR--------HADI---S--GHPARFAVQMIHSYD----------SERLEAIRRGEPV---FAFDEKAREQLSWTYPHQEVTQIRTKQSVS--------DEYSGR----------YRRP-------------------AFMM-KKGLTAAEKGTAMHTVMQHIPLSHVPSIEEAEQTVHRLYEKELLTEEQKDAIDIEEIVQFFHTEIGGQLI-GAKWKDREIPFSLALPAKEIYPDAHEADEPLLVQGIIDCLYETEDGLYLLAYKSDRIEG---GFEGAAPILKKRYETQIQLYTKAVEQIAKTKVKGCALYFFDGGHILT---

General information: TITO was launched using: RESULT: Template: 3U4Q.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 : 4834 172482 35.68 162.72 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 35.68 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_3U4Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U4Q-query.scw PDB file : Tito_Scwrl_3U4Q.pdb: