Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQIPLKPQNERFTDDQWQAIFDQGDNLLVSASAGSGKTTVLVRRVIEKLKMGFDIDELLIVTFTEAAAREMKERIQEALQEAVNSESDPVRRQHFTKQLVLLPTANISTLHAFCLTVIRRYYYLIDIDPVFRMLTDETETILMKEDVWDELREALYAENDERFFQLTMNFSNDRSDDGLTNLVFSLYEFARANPDPKKWLEQLSDNYRLPEGLAKSRLYQEQIRPLVLADIYQCVQLYE-QMTQLAQGEGLEKMHEQVAGEQQQ--IKNIYEAFSQDRLEEAYAGLE-QLTFSTFKSSRK-AELKEISNEVKGMRDKAKKLIQQISKSYFPVSPSQMEELTDKALPLVEEMTKVTQSFMDGFSMRKREKGVLDFNDLEHLALQILTEKTKDAWLPSEASKHYRKKFKEVMVDEYQDVNQLQEAILYWLREPDDTKGNMFMVGDVKQSIYSFRLADPSLFIGKYENFSKKEGGRRIVLAENFRSRKEVLSFTNLIFEQLMDPAVGQINYDEAAKLIQGFSDFPENEQFEPEIMIYEKEQEESEIEIPTDDILEDKTEGELFMTGLKIRQLIDSSFMIYDKKSKKSRPIEYKDIVLLTPTKKNNLTILEIFKTLDIPLEMKDAQNYFQATEIRTMISLLQLIDNPYQDIPLAAVLRSPIVGLIEPELASIRLADRAHTYYDAVLAYQASNEDELAAKLEHFG----KQLEHW----RELARR---SSITDLLWDIYYETGYLEYVVGLPAGAQRQANLYALVD-RAKAYEQSSFRGLYQFVRFIEKMQEKDKDLAEPVISIED-NAVRVMTIHASKGLEFPVVFLLDMTKEFNLQDLRNRYAFEEKLGAGIRYMDPETRVLYDTLPFQAIKLVKQNKLLSEEMRKLYVGLTRAEQKLFIVGSYKNKEQMIQTWSEAADHEELVFDPALRLKGRSSLMNWIGYGLIRHPEMQKYLEEEISTSLLQHSNAQFSISWMNQQSIIEQRQLLAEKELVNLDQQMKEDETLLADSLQKRLAYEYPYQASSQTTSYQSVSEIKRLFEDPDDTQESRLTLESSQNKAASRQFRYTQEQLAEPKFLQKDRQVSAAAVGTATHALLQLLPLEMPTTESIHQKLQELVRKRLVDEKVAKKVDVSSIIWFFQTELGQQLIANKENVKREQPFSMLLPADEVFQDYPNQEDELLIHGIVDGYLEEKDHLNIYDFKTDFILHPDDPAEIDAIVQKYQGQLRLYQQAMSEALNKPVENVFLILLRVKQIININK 1UAA Chain:A ((25-607)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSGKTRVITNKIAHLIRGCGYQARHIAAVTFTNKAAREMKERVGQTLGRKEARGLMISTFHTLGLDIIKREYAALGMKANFSLFDDTDQLALLKELT---EGLIEDDKVLLQQLI-STISNWKNDLKTPSQAAASAIGERDRIFAHCYGLYDAHLKACNVLDFDDLILLPTLLLQAN-------EEVRKRWQNKIRYLLVDEYQDTNTSQYELVKLLV---GSRARFTVVGDDDQSIYSWRGARPQNLVLLSQDFPAL---KVIKLEQNYRSSGRILKAANILIAN--NPHVFEKRL---------FSELG----YGAELKVLSANNEEHEAE---------RVTGE----------LIAHHFV---------NKTQYKDYAILYRGNHQSRVFEKFLMQNRIPYKISGGTSFFSRPEIKDLLAYLRVLTNPDDDSAFLRIVNTPKREIGPATLK--KLGEWAMTRNKSM--FTASFDMGLSQTLSGRGYEALTRFTHWLAEIQRLAEREPIAAVRDLIHGMDYESWLYETSPSPKAAEMRMKNVNQLFSWMTEMLEGSELDEPMTLTQVVTRFTL--RDMMER---EEELDQVQLMTLHASKGLEFPYVYMVGMEEGF--------------------------------LPHQS-SIDEDN--IDEERRLAYVGITRAQKEL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1UAA.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 : 2534 94720 37.38 168.54 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 37.38 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.248

(partial model without unconserved sides chains): PDB file : Tito_1UAA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UAA-query.scw PDB file : Tito_Scwrl_1UAA.pdb: