Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGEIKKKFVQWLEKLLIRLKEPNVKEESLFEDLSPSNDVDTDGKYSKALSWGLENKKVKNIALTGPYGSGKSSILNTFQKQYSREYSFLNISLATFNTDTDDMENKLEKSILQQMIYRVHDRTIPFSRFKRIKHIRTKSIIINLIFFFAFIIVGIYLFKPDALKGIYAETLVSRSLGTEDQQQIRLTILLALFFIVYPLLAYKRIYHFVRANLKLNKVTIANTTLEKNTGEENSSIFDKYLDEILYFFEASKYNVVIFEDLDRFNNIGIFERLRELNELINNSEQIDRRVVFIYAIKDDIFGDADTEKLTRDRTKFFDFIIPVIPIINASNSGDILKKKIKHSPYSDLINTHFLEDVTIYIDDMRVLKNIFNEFVIYQQKLSAIDLDPNKMLAMIIYKNIYPVDFS-KLQYNKGLVYEIFQKKQLIIEEQIKLINAKIQQLERKLANIEVESLKSIAELNFIYLSELEISNLNSNYDINIDGEVFRGNTSNKDRFFEKLKNADTIYCYLRNRNGPATIKEIATVFGRKPNYFEREDAIKAIEKNEIQKFKKELLELEREKQEIRAQSLQVLITKMNSKDVFSDKLYE--KKLLVYLLRHGYIDEMYNHYITYFYPESLSLSDIKFVFSIKNHESLPYSFELDNIGKIMSKLVGAEFKQIEVLNFHL--LNYIMDHSEYRNYYDSIIERLANGSKESVTFIDGFKERAINKAAFIQSISSKWDDFWSFIELRSNYTQQKKEEYLSDILTYADIADIIRMNKESVMSFTLSKYLNLLSLVSDEEKIKELLLKLQV--KFKSLDHLLNSETIYDFVVQRNLYEINIKTLSVILNDAPNITYAAVKNSDQQAVINYVNDNIDIFVEKVLLTEEIEEPEESFLELLNREDLDKRVKHAMIMKKTFAISDIGELIKELWPIVIRENKMVACWSNVITSYVEYNKKMPDFLIAFLNNPVNRKELSKNNIEAFDDKFDEAILEDISEEIINSRDITDETFEVLIASIQSWIYFPLGNVSEKRAKLLIDNDLLSLTPENFKELKLNFDTLHIQLALRNPDEFIDKQGDFSLDANDIKQLIDSNELSQFNKEIFVQHLNSNCLTDGNNDILKDTIYFINEHNLKITNELLTFLLESPTTLDTRLSLLAGQIKHIDNESITEFLTKIGEPYSEIAEKGRRIKISNNRTNKALVTALESKNYISSFKEDRERLRVNTKKK 4BSM Chain:A ((3-1017)) --AIMTMLADHAARQLLD--------------------------FSQKLDINLLDNVVNCLY----HGEGAQQRMAQEVLTHLKEHPDAWTRVDTQNMNTKYYGLQILENVIKTR----------WKILPRNQCEGIKKYVVGLIIKTS---------------------------SDPTCVEKEKVYIGKLNMILVQILKQEWPKHW-------------PTFISDIVGASRTS------------ESLCQNNMVILKLLSE-EVITQVKSKHLKDSMCNEFSQIFQLCQFVMENSQN-------APLVHATLETLLRFLNWIPL------GYIFETKLISTLIYKFLNVPMFRNVS-----LKCLTEIAGV----SVSQYEEQFVTLFTLTMMQLKQMLPLNTNIRLAYSNG------KDDEQNFIQNLSLFLCTFLKEHDQLIEKRLNLRETLMEALHYMLLVSEVE----------ETEIFKICLEYWNHLAAELYRESPFSTSASPHFDVP---------PRRQLYLPMLFKVRLLMVSRMAKPE-EVLVVENDQGE---------VVREFMKDTDSINLYKNMRETLVYLTH-------------------LDYVDTERIMTEKLHNQVNGT--------------EWSWKNLNTLCWAIGSISGAMHEEDEKRFLVTVIKDLLGLCEQK----RGKDNKAII-ASNIMYIVGQYPRFL-----------RAHWKFLKTVV--NKLFEFMHETHDGVQDMACDTFIKIA------QKCRRHFVQVQVGEVMPFIDEILNNINTIICDLQ-----------------------PQQVHTFYEAVGYMIGAQTDQTVQEHLIEKYMLLPNQVWDSI-----LKTNVRACKAVGHPF--------VIQLGRIYLDMLNVYKCLSENISAAIQAN------MVTKQPLIRSMRTVKRETLKLISGWVSRS----------NDPQMVAENF-----------------VPPLLDAVLIDYQRNVPAAEVLSTMAIIVNKLHITAEIPQIFDAV-----FECTLNMINK--DEYPEHRTNFFLLLQAVNSHCFPPTQFKLVLDSIIWAFKHTMRNVA---DTGLQILFTLLQNVAQEEAAAQSFYQTYFCDILQHIFSVVTNLVEEGKLQEYVAN----------------PAFKEHLRD--------

General information: TITO was launched using: RESULT: Template: 4BSM.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 : 3437 -79184 -23.04 -89.07 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -23.04 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.254

(partial model without unconserved sides chains): PDB file : Tito_4BSM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BSM-query.scw PDB file : Tito_Scwrl_4BSM.pdb: