Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSEISRVALFGKLNSLAYKAIEAATVFCKLRGNPYVELVHWFHQILQLPDSDLHQIVRQSGIDPARLAKDLTEALDRLPRGSTSITD-LSSHVEEAVERGWVYGSLMFGESQVRTGYLVIGILKTPSLRHALTGLSAEFAKLKVEALTERFDEYVGASPENGLSASDGFNAGAAPGEASGALAPSAMGKQEALKRFTVDLTEQARSGKLDPIVGRDEEIRQLVDILMRRRQNNPILTGEAGVGKTAVVEGFALRIVAGDVPPALKDVELRALDVGLLQAGASMKGEFEQRLRQVIEDVQSSEKPIILFIDEAHTLVGAGGAAGTGDAANLLKPALARGTLRTVAATTWAEYKKHIEKDPALTRRFQVVQVDEPSEHKAILMMRGVASTMEKHHQVQILDEALEAAVRLSHRYIPARQLPDKSVSLLDTACARTAISLHAVPAEVDDSRRRIEALETELAIIRRESAIGVATAERQRNAETLLAEERERLAALEQRWAEEKRLVDELLETRARLRAAAEAVDAGGVPLGEGEVRLDEEQRQALHARLAELQAQLSALQGEEPLILPTVDYQAVASVVADWTGIPVGRMARNEIETVLNLDRHLKKRIIGQDHALEMIAKRIQTSRAGLDNPSKPIGVFMLAGTSGVGKTETALALAEAMYGGEQNVITINMSEFQEAHTVSTLKGAPPGYIGYGEGGVLTEAVRRKPYSVVLLDEVEKAHPDVHEIFFQVFDKGVMEDGEGRVIDFKNTLILLTTNAGTEMIASLCADPELMPEPEAIAKSLREPLLKIFPPALLGRLVTI-PYYPLSDDMLKAISRLQLGRIKKRVEATHKVPFEFDEGVVDLIVSRCTETESGGRMIDAILTNTLLPDMSREFLTRMLEGKPLAGVRI--SSRDNQFHYDFAEAE |
| 3PXI Chain:A ((3-805)) | ---------FGRFTERAQKVLALAQEEALRLGHNNIGTEHILLGLVREGEGIAAKALQALGLGSEKIQKEVESLIGRGQEMS--QTIHYTPRAKKVIELSMDEARKLGH-SYVGTEHILLGLIREGE-GVAARVLNNL--GVSLNKARQQVLQLLGSNETG----S------------------NSNANTPTLDSLARDLTAIAKEDSLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIINNEVPEILRDKRVMTL---------------EDRLKKVMDEIRQA-GNIILFIDA--------------------KPSLARGELQCIGATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDRYEAHHRVSITDDAIEAAVKLSDRYISDRFLPDKAIDLIDEAGSKVRLRSFT-PNLKELEQKLDE-VRKE-----KD-----------------------AAVQSQEFEKAA-----SLRDTEQRLRE-----------------------------QVEDTKKSWK---EKQGQE---VTVDDIAMVVSSWT-------AQTETDKLLNMENILHSRVIGQDEAVVAVAKAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESIFGDEESMIRIDMSEYMEKHST--------------S---LTEKVRRKPYSVVLLDAIEKAHPDVFNILLQVLEDGRLT-----TVDFRNTILIMTSNVGASEKDK-----------------VMGELKRAFRPEFINRIDEIIVFH--EKKHLTEIVSLMSDQLTKRLKE-QDLSIELTDAAKAKVAEEGVDLEYGARPLRRAIQKHVED----RLSEELLRGNIHKGQHIVLDVEDGEFVVKTTA-- |
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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) -351535 for 5358 contacts (-65.6/contact) +
2D Compatibility (PS) -75326 + (NN) -37376 + (LL) 11252
1D Compatibility (HY) -39600 + (ID) 11500
Total energy: -504085.0 ( -94.08 by residue)
QMean score : 0.497
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