Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEISRVALFGKLNSLAYKAIEAATVFCKLRGNPYVELVHWFHQILQLPDSDLHQIVRQSGIDPARLAKDLTEALDRLPRGSTSITDLSSHVEEAVERGWVYGSLMFGESQVRTGYLVIGILKTPS--LRHALTGLSAEFAKLKVEALTERFDEYVGASPENGLSASDGFNAGAAPGEASGALAPSAMGKQEALKRFTVDLTEQARSGKLDPIVGRDEEIRQLVDILMRRRQNNPILTGEAGVGKTAVVEGFALRIVAGDVPPALKDVELRALDVGLLQAGASMKGEFEQRLRQVIEDVQSSEKPIILFIDEAHTLVGAGGAAGTGDAANLLKPALARGTLRTVAATTWAEYKKHIEKDPALTRRFQVVQVDEPSEHKAILMMRGVASTMEKHHQVQILDEALEAAVRLSHRYIPARQLPDKSVSLLDTACARTAISLHAVPAEVDDSRRRIEALETELAIIRRESAIGVATAERQRNAETLLAEERERLAALEQRWAEEKRLVDELLETRARLRAAAEAVDAGGVPLGEGEVRLDEEQRQALHARLAELQAQLSALQGEEPLILPTVDYQAVASVVADWTGIPVGRMARNEIETVLNLDRHLKKRIIGQDHALEMIAKRIQTSRAGLDNPSKPIGVFMLAGTSGVGKTETALALAEAMYGGEQNVITINMSEFQEAHTVSTLKGAPPGYIGYGEGGVLTEAVRRKPYSVVLLDEVEKAHPDVHEIFFQVFDKGVMEDGEGRVIDFKNTLILLTTNAGTEMIASLCADPELMPEPEAIAKSLREPLLKIFPPALLGRL-VTIPYYPLSDDMLKAISRLQLGRIKKRVEATHKVPFEFDEGVVDLIVSRCTETESGGRMIDAILTNTLLPDMSREFLTRMLEGKPLAGVRISSRDNQFHYDFAEAE |
3PXI Chain:A ((98-735)) | ----------------------------------------------------------------------------------------------------------LGHSYVGTEHILLGLIREGEGVAARVLNNLGVSLNKARQQVL-----QLLG-SNETGS--------------NSNANTPT-------LDSLARDLTAIAKEDSLDPVIGRSKEIQRVIEVLSRRTKNNPVLIGEPGVGKTAIAEGLAQQIINNEVPEILRDKRVMTL---------------EDRLKKVMDEIRQAGN-IILFIDA--------------------KPSLARGELQCIGATTLDEYRKYIEKDAALERRFQPIQVDQPSVDESIQILQGLRDRYEAHHRVSITDDAIEAAVKLSDRYISDRFLPDKAIDLIDEAGSKVRLRSFT--P-------NLKELEQKLDEVRKEKDAAVQSQE---------------------------------FEKAASLR--------------------DTEQR--LREQVEDTKKSWKEKQGQE------VTVDDIAMVVSSWT-------AQTETDKLLNMENILHSRVIGQDEAVVAVAKAVRRARAGLKDPKRPIGSFIFLGPTGVGKTELARALAESIFGDEESMIRIDMSEYMEKHSTS-----------------LTEKVRRKPYSVVLLDAIEKAHPDVFNILLQVLEDGRLT-----TVDFRNTILIMTSNVGA-------------SEKDKVMGELK----RAFRPEFINRIDEIIVFH--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) -229801 for 3914 contacts (-58.7/contact) +
2D Compatibility (PS) -58018 + (NN) -31087 + (LL) 18276
1D Compatibility (HY) -44800 + (ID) 11400
Total energy: -356830.0 ( -91.17 by residue)
QMean score : 0.464
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