Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDKFNKDLNEVLSHALDLALDFNHVLCTTEHVLLAILEHGIGIRIFNTLEEDGYHKMEQILKDYLQQYIPLKNDPTKIPDRSPVLARVF-------KKMYASYLDSVGVEELLIFILEYDDCYASKLLDSFGITRSYFKSALLDFDNPNDINDNDINNEEAPKSTPLKKYTKNLSALAQNNALDPVIGREEEILRVIEILGRRKKNNPLLIGEAGVGKTSIAEALALKIAQKEVPEFLQEYEVYSLDLALMVAGAKYRGDFEKRLKKTLKEIQQNGRIILFIDEIHTLLGAGSSNAGSLDAANILKPVLTDGSLKCLGATTFEEYRSVFEKDKAFNRRFSIVNVEEPSKEACYLILKNIAPLYEEHHQVRYNESVFKACVDLTSYYMHDKFLPDKAIELLDEVGSRKKINPKKGKKISVDDVQETLALKLKIPKMRLNSDKKALLRNLEKSLKNKIFAQTEAINLVSNAIKIQHCGLSAKNKPVGSFLFVGPSGVGKTELAKELALNLNLHFERFDMSEYKEAHSVAKLIGSPSGYVGFEQGGLLVNAIKKHPHCLLLLDEIEKAHPNVYDLLLQVMDNATLSDNLGNKASFKHVILIMTSNVGSKDKDTLGFFSTKNAKYDRAVKELLTPELRSRIDAIVPFNALSLEDFERIVSVELDKLKALALEQGVILKFHKEVVKCIAQKSYQTTLGAREIKKIIHNEIKTQLSDILLLQSFKKPCKIACLLEKNQLVLKEIKRAQKVKENDF |
3PXG Chain:A ((5-404)) | --RFTERAQKVLALAQEEALRLGHNNIGTEHILLGLVREGEGI-AAKALQALGLGS-EKIQKE-VESLIGRGQEMSQTIHYTPRAKKVIELSMDEARKLGHSY---VGTEHILLGLIREGEGVAARVLNNLGVSLNKARQQVLQLLGSNETGS-----NSNANTPTLDSLARDLTAIAKEDSLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIINNEVPEILRDKRVMTL---------------EDRLKKVMDEIRQAGNIILFID-------------A--------KPSLARGELQCIGATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDRYEAHHRVSITDDAIEAAVKLSDRYISDRFLPDKAIDLIDEAGSKVRLRSFTTPPNLKELEQKLDEVRKEKDAAVQSQEFEKAASLRDTEQRLREQVEDTKKSWKEKQGQENSEVTVDDIAMVVSSWT-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PXG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -176085 for 2687 contacts (-65.5/contact) +
2D Compatibility (PS) -38164 + (NN) -20216 + (LL) 20692
1D Compatibility (HY) -26400 + (ID) 7150
Total energy: -247323.0 ( -92.04 by residue)
QMean score : 0.504
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