Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEAYRQHVAERAALGVPPKPLDDAQTAQLVELLKNPPAGEEAFLVDLLENRVPAGVDQAAYVKAAFLAAIAKGEATSPLVSKERAVYLLGTMLGGYNVAPLVELLDDAELGSLAAEALKKTLLVFDAFHDVADKAKAGNANAKAVLQSWADAEWFTSRKDVPEEIKITVFKVTGETNTDDLSPAQDAWSRPDIPLHANAMLKNERDGINPEKPGEVGPLSQIKELIAKGNQVAYVGDVVGTGSSRKSATNSVLWFFGDEIAHIPNKKDGGVCLGGKIAPIFFNTMEDAGALPVEIDVSNMNMGDEVTLKIDHAAAKVTAFKNGEQIAESELKTPVLLDEVHAGGRINLIIGRGLTAKAREVLGLAPSTLFRTPVQPADTGKGFTLAQKMVGRACGLPEGQGIRPGTYCEPKMTTVGSQDTTGPMTRDELKDLA----CLGFSADLVM------QSFCHTAAYPKPV---------------DVQMQHTLPDFIMN-RGGVSLRPGDGIIHSWLNR-----------MLLPDTVGTGGDSHTRFPIG---ISFPAGSGLVAFAAATGVMPLDMPESVLVKFKGKMQPGITLRDLVHAIPYYAIKEGDLTVEKKGKKNIFSGRILEIDLTEMETDLTVEQAFELSDASAERSAAGCAITLSEEKVAEYLRSNITMLKWMISQGYGDARTMARRVENMEKWLANPSLLK----ADADAEYTKVYEIDLSEIKEPILCCPNDPDDAKLLSDVQG---------------------------------------DKIDEVFIGSCMT-NIGHFRAAGQLLE------KVPSGSLTTRLWLAPPTRMDEHQLMEEGFYNTYGRAGARTEMPGCSLCMGNQARVAP--------NT---TVVSTSTRNFPNRLG-QGSNVYLASAELASVAAVLGKLPTPEEYQQYAAQIDSMSADIYKYLNFDQMGEYTNAADKVDTKKIAAAQLT 2B3Y Chain:B ((72-569)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NIEVPFKPARVILQDFTGVPAVVDFAAMRDAVKKLGGDPEKINPVCPADLVIDHSIQVDFNRRADSLQKNQDLEFERNRERFEFLKWGSQAFHNMRIIPPGSGIIHQVNLEYLARVVFDQDGYYYPDS-LVGTDSHTTMIDGLGILGWGVGGIEAEAVMLGQPISMVLPQVIGYRLMGKPHPLVTSTDIVLTIT----K--HL------RQVGVVGKFVEFFGPGV-AQLSIADRATIANMCPEYGATAAFFPVDEVSI-TYLVQT----------GRDE-----EKLKYIKKYLQAVGMFRDFNDPSQDPDFTQVVELDLKTV-VPCCSGPKRPQDKVAVSDMKKDFESCLGAKQGFKGFQVAPEHHNDHKTFIYDNTEFTLAHGSVVIAAITSCTNTSNPSVMLGAGLLAKKAVDAGL-NVMPYIKTSLSPGSGVVTYYLQESGVMPYLSQLGFDVVGYGCMTCIGNSGPLPEPVVEAITQGDLVAVGVLSGNRNFEGRVHPNTRANYLASPPLVIAYAIAGTIRIDF----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2B3Y.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 : 1917 29390 15.33 74.22 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : 15.33 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.350

(partial model without unconserved sides chains): PDB file : Tito_2B3Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B3Y-query.scw PDB file : Tito_Scwrl_2B3Y.pdb: