Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRFEKFTNRLQQALSDAQSLAMGKDHTAIAGIHILSTLLEEPSNISL--LQQAGARLPELKQKLEQALKDAPTIANPTGDVNLNPEAVKALNLADRYAQKAGDEFLSTDWVLLGLAETGE--TKNILSAVGVTPDSLRKVIENIRGSDKVMSN----NHEDQRDSLNKYTIDLTERALSGKLDPVIGRDDEIRRTIQVLSRRTKNNPVLIGEPGVGKTAIVEGLAQRIVNGEVPEGLKNKRVLSLDLGSLLAGAKYRGEFEERLKAVLKDLAKHEGEIILFIDELHTLVGAGKGDGAMDAGNMLKPALARGELRCVGATTLDEYRQYIEKDAALERRFQKVLVDEPSVEDTIAILRGLKEKYATHHGVQILDSAIIAAAKMSHRYITDRQLPDKAIDLIDEAASRIKMEIDSKPEALDKLDRRLIQLKMQLEAVKKDEDAGSKAEVTHLEKQIAEVEKEYNDLEEVWKAEKTLVEGTKQAQVELDKARIAFEKAQREGDLAEAARLQYGVIPELQKQLEQDEVAEENEEPKLIRTKVTENEIAEVVSAATGIPVAKMMQGEREKLLHMEEFLHDRVVGQDEAVVAVSNAVRRSRAGLSDPNRPSGSFLFLGPTGVGKTELTKALANFLFDSDDAMIRIDMSEFMEKHSVSRLVGAPPGYVGYEEGGVLTEAVRRKPYSVVLFDEVEKAHPDVFNILLQVLDDGRLTDSQGRVVDFKNTVIVMTSNLGSQDVRE---LGEGATDD-----EVRTIVMNAVSQHFRPEFINRIDELVIFHSLKKVQIRGIADIQLDRLRSRLVDRDMSLTVDDSAFDLLIDAGFDPVYGARPLKRAIQQQVENTLAQKILSGDFVAGDTILVKGENGHLVFDKLKLS 3J3U Chain:A ((3-802)) --FGRFTERAQKVLALAQEEALRLGHNNIGTEHILLGLVREGEGIAAKALQALGLGSEKIQKEVESLIGRGQEMSQT---IHYTPRAKKVIELSMDEARKLGHSYVGTEHILLGLIREGEGVAARVLNNLGVSLNKARQQVLQLLGSNETGSSAAGTNSNANTPTLDSLARDLTAIAKEDSLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIINNEVPEILRDKRVMTLDMGTVVAGTKYRGEFEDRLKKVMDEI-RQAGNIILFIDALHTLIGAGGAEGAIDASNILKPSLARGELQCIGATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDRYEAHHRVSITDDAIEAAVKLSDRYISDRFLPDKAIDLIDEAGSKVRLRSFTTPPNLKELEQKLDEVRKEKDAAVQSQEFEKAASLRDTEQRLRE---QVEDTKKSWKEK----QGQENSEVTVD-------------DIAMVVSSWT-------------------------------------------------AQTETDKLLNMENILHSRVIGQDEAVVAVAKAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESIFGDEESMIRIDMSEYMEKHSTSRLVGSPPGYVGYDEGGQLTEKVRRKPYSVVLLDAIEKAHPDVFNILLQVLEDGRLTDSKGRTVDFRNTILIMTSNVGASELKRNKYVGFNVQDETQNHKDMKDKVMGELKRAFRPEFINRIDEIIVFHSLEKKHLTEIVSLMSDQLTKRLKEQDLSIELTDAAKAKVAEEGVDLEYGARPLRRAIQKHVEDRLSEELLRGNIHKGQHIVLDVEDGEFV-------

General information: TITO was launched using: RESULT: Template: 3J3U.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 : 4304 158655 36.86 204.19 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : 36.86 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.475

(partial model without unconserved sides chains): PDB file : Tito_3J3U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J3U-query.scw PDB file : Tito_Scwrl_3J3U.pdb: