Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDLQKFTQQVQQTIADAQNLAIASEHQEIDVAHVFKVLLTESD-FAKRVYDVAEVDTDALQKVIENTLEKIPVVSGSGVNYGQAMSQALFQLMRDAEK-------EQQQLEDDFVSTEHLILAVMDQKSNPITAELKNQ-----HKAKKQIKEAILKIRGGKRVTSQNAEENYEALTKYGRDLVAEVRSGKLDPVIGRDAEIRNVIRILSRKTKNNPVLIGEPGVGKTAIVEGLAQRIVRKDVPEGLKDKTIISLDIGSLIAGAKYRGEFEERLKAVLQEVKQSDGQILLFIDEIHTIVGAGKTDGAMDAGNMLKPMLARGELHCIGATTLDEYRQYIEKDAALERRFQKVLVPEPTVEDTVSILRGLKERFEIHHGVNIHDNALVAAASLSNRYITDRFLPDKAIDLVDEACATIRVEIDSMPSELDEVTRKVMQLEIEEAALKEEKDPASERRLEILQRELADYKEEANQMKSKWESEKNEISKIREVREQIDHLRHELEEAENNYDLNKAAELRHGRIPAVEKELLELEAENREKTAQEDRILQEEVTENEIAEIVGRWTGIPVTKLVEGEREKLLKLADVLHQKVIGQDDAVQLVSDAVLRARAGIKDPKRPIGSFIFLGPTGVGKTELAKALAFNMFDSEDHMIRIDMSEYMEKHSVSRLVGAPPGYIGYEEGGQLTEAVRRNPYSIVLLDEIEKAHPDVFNILLQVLDDGRITDSQGRLIDFKNTVIIMTSNIGSNLLLERTEEGEISPELESD-VMQILQSEFKPEFLNRVDDIILFKPLTLADIKGIVEKLVEELQIRLADQEITITISDDAKAFIAEEAYDPVYGARPLKRYIVRHVETPLAREIVSGKIMPHSSVEIDLADKEFTFKVTE |
3PXI Chain:A ((3-806)) | --FGRFTERAQKVLALAQEEALRLGHNNIGTEHILLGLVREGEGIAAKALQALGLGSEKIQKEVE-----------SLIGRGQEMSQTIHYTPR-AKKVIELSMDEARKLGHSYVGTEHILLGLI-REGEGVAARVLNNLGVSLNKARQQVLQLLGSNETGS-----NSNANTPTLDSLARDLTAIAKEDSLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIINNEVPEILRDKRVMTL---------------EDRLKKVMDEIRQA-GNIILFID------------A--------KPSLARGELQCIGATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDRYEAHHRVSITDDAIEAAVKLS-----DRYISDRF--LPDKAIDLI-----------DEAGSKV---------------------------RLRSFT--PN---------------LKELEQKLDEVRKEKDAAVQSQEFEKAASLRDTE-QRLREQVEDTKKSWKEKQGQ-------EVTVDDIAMVVSSWT-------AQTETDKLLNMENILHSRVIGQDEAVVAVAKAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESIFGDEESMIRIDMSEYMEKHSTS-----------------LTEKVRRKPYSVVLLDAIEKAHPDVFNILLQVLEDGRLT-----TVDFRNTILIMTSNVGAS---------------EKDKVMGELKRAFRPEFINRIDEIIVFH--EKKHLTEIVSLMSDQLTKRLKEQDLSIELTDAAKAKVAEEGVDLEYGARPLRRAIQKHVEDRLSEELLRGNIHKGQHIVLDVEDGEFVVKTT- |
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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) -291256 for 5241 contacts (-55.6/contact) +
2D Compatibility (PS) -74746 + (NN) -36635 + (LL) 11180
1D Compatibility (HY) -58800 + (ID) 17300
Total energy: -467557.0 ( -89.21 by residue)
QMean score : 0.545
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