Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVF-------KKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKI----NPKKGKKIS--VDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKI----------------------------FAQTEAINLVSNAIKIQHC---------------------GLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFE---RFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF |
| 3PXI Chain:A ((5-804)) | --RFTERAQKVLALAQEEALRLGHNNIGTEHILLGLVREGEGI-AAKALQALGLGS-EKIQKE-VESLIGRGQEMSQTIHYTPRAKKVIELSMDEARKLGHSY---VGTEHILLGLIREGEGVAARVLNNLGVSLNKARQQVLQLLGSNETGS-----NSNANTPTLDSLARDLTAIAKEDSLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIINNEVPEILRDKRVMTL---------------EDRLKKVMDEIRQAGNIILFID-------------A--------KPSLARGELQCIGATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDRYEAHHRVSITDDAIEAAVKLSDRYISDRFLPDKAIDLIDEAGSKVRLRSFT--PNLKELEQKLDEVRKEKDAAVQSQEF----EKAASLRDTEQRLREQVEDTKKSWKEKQGQEVTVDDIAMVVSSWT-AQTETDKLL-NMENILHSRVIGQDEAVVAVAKAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESIFGDEESMIRIDMSEYMEKHSTS-----------------LTEKVRRKPYSVVLLDAIEKAHPDVFNILLQVLEDGRLT-----TVDFRNTILIMTSNVGASEKD----------KVMGELKRAFRPEFINRIDEIIVFH--EKKHLTEIVSLMSDQLTKRLKEQDLSIELTDAAKAKVAEEGVDLEYGARPLRRAIQKHVEDRLSEELLRGNIHKGQHIVLDVEDGEFVVKTTA---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PXI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -320139 for 4630 contacts (-69.1/contact) +
2D Compatibility (PS) -68890 + (NN) -36127 + (LL) 4768
1D Compatibility (HY) -45600 + (ID) 12350
Total energy: -478338.0 ( -103.31 by residue)
QMean score : 0.538
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