Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMRFEKFTNRLQQALSDAQSLAMGKDHTAIAGIHILSTLLEEPS--NISLLQQAGARLPELKQKLEQALKDAPTIANPTGDVNLNPEAVKALNLADRYAQKAGDEFLSTDWVLLGLAETGET--KNILSAVGVTPDS-LRKVIENIRGS---DKVMSNNHEDQRDSLNKYTIDLTERALSGKLDPVIGRDDEIRRTIQVLSRRTKNNPVLIGEPGVGKTAIVEGLAQRIVNGEVPEGLKNKRVLSLDLGSLLAGAKYRGEFEERLKAVLKDLAKHEGEIILFIDELHTLVGAGKGDGAMDAGNMLKPALARGELRCVGATTLDEYRQYIEKDAALERRFQKVLVDEPSVEDTIAILRGLKEKYATHHGVQILDSAIIAAAKMSHRYITDRQLPDKAIDLIDEAASRIKMEIDSKPEALDKLDRRLIQLKMQLEAVKKDEDAGSKAEVTHLEKQIAEVEKEYNDLEEVWKAEKTLVEGTKQAQVELDKARIAFEKAQREGDLAEAARLQYGVIPELQKQLEQDEVAEENEEPKLIRTKVTENEIAEVVSAATGIPVAKMMQGEREKLLHMEEFLHDRVVGQDEAVVAVSNAVRRSRAGLSDPNRPSGSFLFLGPTGVGKTELTKALANFLFDSDDAMIRIDMSEFMEKHSVSRLVGAPPGYVGYEEGGVLTEAVRRKPYSVVLFDEVEKAHPDVFNILLQVLDDGRLTDSQGRVVDFKNTVIVMTSNLGSQDVRELG-EG-------ATDDEVRTIVMNAVSQHFRPEFINRIDELVIFHSLKKVQIRGIADIQLDRLRSRLVDRDMSLTVDDSAFDLLIDAGFDPVYGARPLKRAIQQQVENTLAQKILSGDFVAGDTILVKGENGHLVFDKLKLS
3J3U Chain:B ((3-802))--FGRFTERAQKVLALAQEEALRLGHNNIGTEHILLGLVREGEGIAAKALQALGLGSEKIQKEVESLIGRGQEM---SQTIHYTPRAKKVIELSMDEARKLGHSYVGTEHILLGLIREGEGVAARVLNNLGVSLNKARQQVLQLLGSNETGSSAAGTNSNANTPTLDSLARDLTAIAKEDSLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIINNEVPEILRDKRVMTLDMGTVVAGTKYRGEFEDRLKKVMDEIRQ-AGNIILFIDALHTLIGAGGAEGAIDASNILKPSLARGELQCIGATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDRYEAHHRVSITDDAIEAAVKLSDRYISDRFLPDKAIDLIDEAGSKVRLRSFTTPPNLKELEQKLDEVRKEKD-------A--------------AVQSQEFEKAASLRDTEQRLREQVED------TKK---------------------------SWK--------EKQGQENSEVTVDDIAMVVSSWT-------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 B - contact count / total energy / energy per contact / energy per residue : 4233 178311 42.12 229.49
target 2D structure prediction score : 0.68
Monomeric hydrophicity matching model chain B : 0.83

3D Compatibility (PKB) : 42.12
2D Compatibility (Sec. Struct. Predict.) : 0.68
1D Compatibility (Hydrophobicity) : 0.83
QMean score : 0.448

(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: