Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGAEFLVGRSGSGKTKLIINSIQDELRRAPFGKPIIFLVPDQMTFLMEYELAKTPDMGGMIRAQVFSFSRLAWRVLQHTGGMSRPFLTSTGVQMLLRKLIEEHKQEFKVYQKASDKSGFTA-QVERMLTEFKRYCLEPEDIRRMAESGTASEYRGERVLSEKLHDLSIL--YQQMEKSLADQYLHSEDYLTLLAEHIP-LAEDIKGAHIYVDGFYQFTPQEFRVLEQLMVHAEHITFSLTADKPSYEREPHELELFRMTGKTYYRLHQKAKELNLDITYKELSGTERHTKTPELAHLEAQYEARPAIPYAEKQEALTVMQAANRRAELEGIAREIHALVREKGYRYKDVAILARQPE-DYKDMVKEVFADYEIPYFIDGKASMLNHPLIEFIRSSLDVLKGNWRYEAVFRCVKTELLFPLNEPKAKVREQVDQLENYCIAYGIKGDRWTKGDRFQYRRFVSLDDDFAQT-DQEIEMENMLNDTRDWIVPPLFQLQKRMKKAKTV-QEKAEALYRYLEETDVPLKLDQERQRAEDDGRIIEAQQHQQAWDAVIQLLEEFVEMMGDDEISLDLFQQMIEAGAESLTFSLIPPALDQVFVGNMD-----LSRMYGTSCTFVLGANDGVLPARPDENGVLSDDDREWLKTIGVELSSGGRERLLDEHFLIYMAFSSPSDRLYVSYPIADAEGKTLLPSMIVKRLEELFPHHKERLLTNEPEQVSDEEQLMYVVNKSVAQSFTASQLRLWTREYDISDVWWSTYNVLMSEQDRLQSKKLFSSLFFRNEVKQLERSVSRQLYGERIQGSVSRMETFNACPFSHFASHGLHLKERQFFKLEAPDIGQLFHSSLKLISDRLREQKLDWRDLTKEQCELFSYDAVERLAPKLQKEILLSSNRHYYVKEKLQKIVTRVSGILSEHAKASGFVPIGLELGFGGKGPLPPLTFQLKNGCTMELVGRIDRVDKAESSKGLLLRIVDYKSSDKGLDLAEVYYGLALQMLTYLDLSITHSADWLGMRATPAGVLYFHIHDPMIQSNLP-LGLDEIEQEIFKKFKMKGLLLGDQEVVRLMDTTLQEGRSNIINAGLKKDGSLRSDSAAVGEKEFDLLTKHVRRTFQEAGEQITDGRVSIEPYKMKNKTPCTYCAFKSVCQFDESLEENEYRPLKAEKDKTILEWIKKEADGNEHS 4ZUZ Chain:A ((8-864)) --------------------------------DVIKFKEPERCDYLYV-------DENNKVHILLPIVGG-------DEIGLDNTCQTAVELITFFY---------------GSAHSGVTKYSAEHQLSEYKRQL--EEDIKAINSQKKISPHAYDDLLKEKIERLQQIEKYIELIQVLKKQYDEQNDIRQLRTGGIPQLPSGVKEIIKSSENAFAVRLSPYD--NDKFTRFDDPLFNVKRNISKYDTPSRQAPIPIYEG-LGYRLRSTLFPEDKTPTPINKKSLRDKVKSTVLSH----YKDEDRIDGEKKDEKLNELITNLQNELVKELVKS------DPQYSKLSLSKDPRGKEINYDYLVNSLM-------LVDNDS-----EIGDWIDTILDAT-----VDSTVWAVQASSPFYQGAKEISSDRDADKISIRVQYLLAEANIYCKTNKLS-------DANFGEFFDKE---------------PHATEIAKRVKEGFTQGADIEPIIYDYINSNHAELGLKSP----------LTGKQQQEITDKFTKHYNTIKES----------------------------PHFDEFFVADPDKKGNIFSHQGRISCHFLDFFTRQTKGKHP--LGDLASHQEALQE--------------------------GTSNRLH---------HKNEVVAQGYEKLDQFKKEVVKLLAENKPKELLD-----YLVATSPTGVPNYSMLSKETQNYIAYNRNWPAIQKELEKATSIP----------ESQKQDLSRLLSRD---------NLQHDNLSAITWSKYSSKPL-------LDVELNKIAEGLELTAKIYNEK-RGREW-WFAGSRNEARKTQCEELQRVSKEINTLLQSESLTKSQVLEKVLNSIETLDKIDRDISAESNWFQ-----------------------------------------STLQKEVRLFRDQLKDICQLDKYYFKSTKLDEIISLEMEEQFQ--------------KIQDPAVQQIVRDLPSHCHNDEAIEFFKT----LNPEEAAKVASYLSLEYRE--INKSTDK---------------KTLLEQDIPRLFKEVNTQLLSKLKEEKA-----------------------IDEQVHEKLSQLADKIAPEHFTRNNIIKWST

General information: TITO was launched using: RESULT: Template: 4ZUZ.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 : 3944 -176431 -44.73 -209.04 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -44.73 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.304

(partial model without unconserved sides chains): PDB file : Tito_4ZUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZUZ-query.scw PDB file : Tito_Scwrl_4ZUZ.pdb: