Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQIPLKPQNERFTDDQWQAIFDQGDNLLVSASAGSGKTTVLVRRVIEKL---------KMGFDIDELLIVTFTEAAAREMKERIQEALQEAVNSE------------------SDPVRRQHFTKQLVLLPTANISTLHAFCLTVIRRYYYLIDIDPVFRMLTDETETILMKEDVWDELREALYAENDERFFQLTMNFSNDRSDDGLTNLVFSLYEFARANPDPKKWLEQLSDNYRLPEGLAKSRLYQEQIRPLVLADIYQCVQLYEQMTQLAQGEGLEKMHEQVAGEQQQIKNIYEAFSQDRLEEAYAGLEQLTFSTFKSSRKAELKEISNEVKGMRDKAKKLIQQISKSYFPVSPSQMEELTDKALPLVEEMTKVTQSFMDGFSMRKREKGVLDFNDLEHLALQILTEKTKDAWLPSEASKHYRKKFKEVMVDEYQDVNQLQEAILYWLREPDDTKGNMFMVGDVKQSIYSFRLADPSLFIGKYENFSKKEGGRRIVLAENFRSRKEVLSFTNLIFEQ----LMDPAVGQINYDEAAKLIQGFSDFPENEQFEPEIMIYEKEQEESEIEIPTDDILEDKTEGELFMTGLKIRQLIDSSFMIYDKKSKKSRPIEYKDIVLLTPTKKNNLTILEIFKTLDIPLEMKD-AQNYFQATEIRTMISLLQLIDNPYQDIPLAAVLRSPIVGLIEPELASIRLADRAHTYYDAVLAYQASNEDELAAKLEHFGKQLEHWRELARRSSITDLLWDIYYETGYLEYVVGLPAGAQRQANLYALVDRAKAYEQS--SFRGLYQFVRFIEKMQEKDKDLAEPVISIEDNAVRVMTIHASKGLEFPVVFLLDMTKEFNLQDLRNRYAFEEKLGAGIRYMDPETRVLYDTLPFQAIKLVKQNKLLSEEMRKLYVGLTRAEQKLFIVGSYKNKEQMIQTWSEAADHEELVFDPALRLKGRSSLMNWIGYGLIRHPEMQKYLEEEISTSLLQHSNAQFSISWMNQQSIIEQRQLLAEKELVNLDQQMKEDETLLADSLQKRLAYEYPYQASSQTTSYQSVSEIKRLFEDPDDTQESRLTLESSQNKAASRQFRYTQEQLAEPKFLQKDRQVSAAAVGTATHALLQLLPLEMPTTESIHQKLQELVRKRLVD-----EKVAKKVDVSSIIWFFQTELGQQLIANKENVKREQPFSMLLPADEVFQDYPNQEDELLIHGIVDGYLEEKDHLNIYDFKTDFI-----LHPDDPAEIDAIVQKYQGQLRLYQQAMSEALNKPVEN---------VFLILLR--------------------VKQIININK- 1W36 Chain:B ((1-1174)) -----MSDVAETLDPLRLPL----QGERLIEASAGTGKTFTIAALYLRLLLGLGGSAAFPRPLTVEELLVVTFTEAATAELRGRIRSNIHELRIACLRETTDNPLYERLLEEIDDKAQAAQWLLLAERQMDEAAVFTIHGFCQRMLNLNAFESGMLFEQQLIEDE---SLLRYQACADFWRRHCYPLPREIAQVVFETWKG------------------PQALLRDINRYLQGEAPVIKAPPPDDETLASRHAQIVARIDTVKQQWRDAVGELDALIESSGIDRRKFNRSNQAKWIDKISAWAEEETNSYQLPESLEKPRHPLFEAIDQLLAEPLSI--------------------------------RDLVITRALAEIRETVAREKRRRGELGFDDMLSRLDSALRSES-----GEVLAAAIRTRFPVAMIDEFQDTDPQQYRIFRRIWH-HQPETALLLIGDPKQAIYAFRGADIFTYMKARSEVHA-----HYTLDTNWRSAPGMVNSVNKLFSQTDDAFMFREIPFIPVKSAGKNQALRFVFKGETQPAMKMWLMEGESC------GVGDYQSTMAQVCAAQIRDWLQAGQRGE--ALLMNGDDARPVRASDISVLVRSRQEAAQVRDALTLLEIPSVYLSNRDSVFETLEAQEMLWLLQAVMTPERENTLRSALATSMMGLNALDIETLNND---------------------EHAWDVVVEEFDGYRQIWRKRGVMPMLRALMSARNIAENLLATAGGERRLTDILHISELLQEAGTQLESEHALVRWLSQHILEPDSNASSQQMRLESDKHLVQIVTIHKSKGLEYPLVWLPFITNFRVQEQA-------------FYHDRHSFEAVLDLNAAPESVDLAEAERLAEDLRLLYVALTRSVWHCSLGVAPLVRRRGDKKGDTDVHQ---------------SALGRLLQKGEPQD------AAGLRTCIEALCDDDIAWQTAQTGD--------------NQPWQVNDVSTAELNAKTLQRLPGDNWRVTSYSGLQQRGHGIAQDLMPRLDVDAAGVASVVEEPTLTPHQFPRGASPGTFLHSLFEDLDFTQPVDPNWVREKLELGGFESQWEPVLTEWITAVLQAPLNETGVSLSQLSARNKQVEMEFYLPISEPLIASQLDTLIRQFDPLSAGCP------PLEFMQVRGMLKGFIDLVFRHEGRYYLLDYKSNWLGEDSSAYTQQAMAAAMQAHRYDLQYQLYTLALHRYLRHRIADYDYEHHFGGVIYLFLRGVDKEHPQQGIYTTRPNAGLIALMDEMFAG

General information: TITO was launched using: RESULT: Template: 1W36.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 4923 152272 30.93 140.47 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 30.93 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.325

(partial model without unconserved sides chains): PDB file : Tito_1W36.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W36-query.scw PDB file : Tito_Scwrl_1W36.pdb: