Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDLQKFTQQVQQTIADAQNLAIASEHQEIDVAHVFKVLLTES-DFAKRVYDVAEVDTDALQKVIENTLEKIPVVSGSGVNYGQAMSQALFQLMRDAEKEQQQLEDDFVSTEHLILAVMDQKSNPITAELKNQHKAKKQIKEAILKIRGGK---RVTSQNAEENYEALTKYGRDLVAEVRSGKLDPVIGRDAEIRNVIRILSRKTKNNPVLIGEPGVGKTAIVEGLAQRIVRKDVPEGLKDKTIISLDIGSLIAGAKYRGEFEERLKAVLQEVKQSDGQILLFIDEIHTIVGAGKTDGAMDAGNMLKPMLARGELHCIGATTLDEYRQYIEKDAALERRFQKVLVPEPTVEDTVSILRGLKERFEIHHGVNIHDNALVAAASLSNRYITDRFLPDKAIDLVDEACATIRVEIDSMPSELDEVTRKVMQLEIEEAALKEEKDPASERRLEILQRELADYKEEANQMKSKWESEKNEISKIREVREQIDHLRHELEEAENNYDLNKAAELRHGRIPAVEKELLELEAENREKTAQEDRILQEEVTENEIAEIVGRWTGIPVTKLVEGEREKLLKLADVLHQKVIGQDDAVQLVSDAVLRARAGIKDPKRPIGSFIFLGPTGVGKTELAKALAFNMFDSEDHMIRIDMSEYMEKHSVSRLVGAPPGYIGYEEGGQLTEAVRRNPYSIVLLDEIEKAHPDVFNILLQVLDDGRITDSQGRLIDFKNTVIIMTSNIGSNLLLERTEEGEISPELESDVMQILQSEFKPEFLNRVDDIILFKPLTLADIKGIVEKLVEELQIRLADQEITITISDDAKAFIAEEAYDPVYGARPLKRYIVRHVETPLAREIVSGKIMPHSSVEIDLADKEFTFKVTE |
3PXI Chain:A ((3-806)) | --FGRFTERAQKVLALAQEEALRLGHNNIGTEHILLGLVREGEGIAAKALQALGLGSEKIQKEVESLIGRGQEM-----SQTIHYTPRAKKVIELSMDEARKLGHSYVGTEHILLGLIREGEGVAARVLNNLGVSLNKARQQVLQLLGSNETGS----NSNANTPTLDSLARDLTAIAKEDSLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIINNEVPEILRDKRVMTL---------------EDRLKKVMDEIRQ-AGNIILFIDA--------------------KPSLARGELQCIGATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDRYEAHHRVSITDDAIEAAVKLSDRYISDRFLPDKAIDLIDEAGSKVRLRSFT--PNLKELEQKLDEVRKEKD--------------------------AAVQSQEFEKAASLRDTE--------Q-------------RLREQVEDT---KKSW---------------KEKQGQ---EVTVDDIAMVVSSWT-------AQTETDKLLNMENILHSRVIGQDEAVVAVAKAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESIFGDEESMIRIDMSEYMEKHST--------------S---LTEKVRRKPYSVVLLDAIEKAHPDVFNILLQVLEDGRLT-----TVDFRNTILIMTSNVGASEKDK--------------VMGELKRAFRPEFINRIDEIIVFH--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) -301625 for 5414 contacts (-55.7/contact) +
2D Compatibility (PS) -75516 + (NN) -35570 + (LL) 9460
1D Compatibility (HY) -56000 + (ID) 16600
Total energy: -475851.0 ( -87.89 by residue)
QMean score : 0.545
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