Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIPKPADSTWTDDQWNAIVSTGQDILVAAAAGSGKTAVLVERMIRKI------TAEENPIDVDRLLVVTFTNASAAEMKHRIAEALEKELVQRPGS---------------------LHIRRQLSLLNRASISTLHSFCLQVLKKYYYLIDLDPGFRIADQTEGELIGDEVLDELFEDEYAKGEKAFFELVDRYTTDRHDLDLQFLVKQVYEYSRSHPNPEAWLESFVHLYDVSEKSAIEELPFYQYVKEDIAMVLNGAKEKLLRALELTKAPGGPAPRADNFLDDLAQIDELIQHQDDFSELYKRVPAVSFKRAKAVKGDEFDPALLDEATDLRNGAKKLLEKLKTDYFTRSPEQHLKSLAEMKPVIETLVQLVISYGKRFEAAKQEKSIIDFSDLEHYCLAILTAENDKGEREPSEAARFYQEQFHEVLVDEYQDTNLVQESILQLVTSGPEETGNLFMVGDVKQSIYRFRLAEPLLFLSKYKRFTESGEGTGRKIDLNKNFRSRADILDSTNFLFKQ----LMGGKIGEVDYDEQAELKLGAAYPDNDETETELLLIDNAEDTDASEEAEELETVQFEAKAIAKEIRKLISSPFKVYDGKKKTHRNIQYRDIVILLRSMPWAPQIMEELRAQGIPVY-ANLTSGYFEAVEVAVALSVLKVIDNPYQDIPLASVLRSPIVGADENELSLIRLENKKAPYYEAMKDYLAAGDRSDELYQKLNTFYGHLQKWRAFSKNHSVSELIWEVYRDTKYMDYVGGMPGGKQRQANLRVLYDRARQYESTAFRGLFRFLRFIERMQERG--DDLGTARALSEQEDVVRLMTIHSSKGLEFPVVFVAGLGRNFNMMDLNKSYLLDKELGFGTKYIHPQLRISYPTLPLIAMKKKMRRELLSEELRVLYVALTRAKEKLFLIGSCKDHQKQLAKWQASASQTDWLLPEFDRYQARTYLDFIGPALARHRDLGDLAGVPAHADISGHPARFAVQMIHSYDLLDDDLEERMEEKSERLEAIRRGEPVPGSFAFDEKAREQLSWTYPHQEVTQIRTKQSVSEIKRKREYEDEYSGRAPVKPADGSILYRRPAFMMKKGLTAAEKGTAMHTVMQHIPLSHVPSIEEAEQTVHRLYEKELLTEEQKDAIDIEEIVQFFHTEIGGQLIGAKWKDREIPFSLALPAKEIYPDAHEADEPL-----------------LVQGIIDCLYETEDGLYLLDYKSDRIEGKFQH--GFEGAAPILKKRYETQIQLYTKAVEQIAKTKVK--------GCALYFF------------------DGGHILTL------ 1W36 Chain:B ((1-1174)) ---MSDVAETLDPLR----LPLQGERLIEASAGTGKTFTIAALYLRLLLGLGGSAAFPRPLTVEELLVVTFTEAATAELRGRIRSNIHELRIACLRETTDNPLYERLLEEIDDKAQAAQWLLLAERQMDEAAVFTIHGFCQRMLNLNAFESGMLFEQQLIE--DESLLRYQACADFWRRHCYPLPREIAQVVFETWKGPQALLRDINRYLQGEAPVIKAPPPD--------------------------DETLASRHAQIVARIDTVKQQWRDAVGELDALIESSGIDRRKFNRSNQAKWIDKISAWAEEETNSYQLPESLEKPRHPLFEAIDQLLAEPLSI-------------------------RDLVITRALAEIRETVAREKRRRGELGFDDMLSRLDSALR------SESGEVLAAAIRTRFPVAMIDEFQDTDPQQYRIFRRIWHHQPET-ALLLIGDPKQAIYAFRGADIFTYMKARSEVH-------AHYTLDTNWRSAPGMVNSVNKLFSQTDDAFMFREIPFIPVKSAGKNQALRFVFKGETQPAMKMWLME--GESCGVGDYQSTMAQVCAAQIRDWLQAGQRGEALLMNGD--DARPVRASDISVLVRSRQEAAQVRDALTLLEIPSVYLSNRDSVFETLEAQEMLWLLQAVMTPERENTLRSALATSMMGLNALDIETLNND-----------------------EHAWDVVVEEFDGYRQIWRKRGVMPMLRALMSARNIAENLLATAGGERRLTDILHISELLQEAGTQ-LESEHALVRWLSQHILEPDSNASSQQMRLESDKHLVQIVTIHKSKGLEYPLVWLPFITNFRVQEQAFYHD-------------RHSFEAVLDLNAAPESVDLAEAERLAEDLRLLYVALTRSVWHCSLGVAPLVRRRGDKKGDTDVHQS------------------------------------ALGRLLQKGEPQDAAGLRTCIEALCDDDIAWQTAQTGDNQPWQVNDVSTAELNAKTLQRLPGDNWRVTSYSGLQQRGHGIAQDLMPRLDVDAAGVASVVE--------EPTLTPHQFPRGASPGTFLHSLFEDLDFTQPVDPNWVREKLELGGFESQWEPVLTEWITAVLQAPLNETGVSLSQLSARNKQVEMEFYLPISEPLIASQLDTLIRQFDPLSAGCPPLEFMQVRGMLKGFIDLVFRHEGRYYLLDYKSNWLGEDSSAYTQQAMAAAMQAHRYDLQYQLYTLALHRYLRHRIADYDYEHHFGGVIYLFLRGVDKEHPQQGIYTTRPNAGLIALMDEMFAG

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 : 4862 -397060 -81.67 -370.05 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -81.67 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.339

(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: