Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQLLNDTLSAWLLIESLSPGEVNFTAEDILSAEHFKNGAKQAQLQSFDEYFEIWNSERFIISEEKSETGELIFKFYRHCFRYNEINLKIQDIFDDYSDIHNPNGTHCYGYTFNTDKHGKVIVDSIHIPMIMSALKEIEKNKNANIEEKFNDSVEKFFQKVKEILADEPINEFKLKKMDKAYDEYFSVLNSKKDGLFGHYVAIEYVKDSDLPQPEFNSFFISDIEKARKSPNQTLIDYIEGVEESQRIEVDENKEMFDKFLHPSRLPDGRWPSQTEFRLSLMQQLAVNQITSGNERISSVNGPPGTGKTTLLKDIFAHLVVERGKELAKLNNPKDAFVKTKIHETDDKYVYLLKESIAKYKMVVASSNNGAVENISKDLPKIEEIIRNPEKCKFPKYEQNYANLAHELKDFAEIAEDLIGESAWGLFSGVFGKSTNINQVLSHMLKQDANDIGFAKLLQNENNRMSYNELMSEWQSHQRAFLEELRHVEMLKEESIRAYDVYKNCESFSKIEQVINSEKTSIEEQVYHLDNETLRDNKEIEDLDNRINYIVKQIETLNELIKSIKESNKGFINKLKAMFNSEEDESYKDHNKEKQQLLTQQLELEKCKKNKHEDLVSKLKEKEKLIKQLTKVQLQLDELNSQLQELEAYRIESKITIPEKDFWSDNNYDERQVTNLWTSDELQYRRAMLFLRAMILHKLLLIANNTTIYYAINDFKDRRKLIDANPDKVHNAWNVMHLIFPVVSTTFASFKSMYGGIPKDFIDYLFIDEAGQA-IPQAAVGALYRSKKVVAVGDPIQIEPVVTLESHLIDNIRKNYHVPEYLVSKEASVQSVADNANQYGFWKSDATDSNQKTWIGIPLWVHRRCLKPMFTIANQIAYNNKMVLPSNITKVGKTG--------------WYDVKGNAVQKQFVKEHGEKVVGLLADDWIEAIKEGKNEPSSFVISPFSAVQQQIKRMLKQQLPTRIDIERTKINQWVDKSIGTVHTFQGKEAQKVYFVIGTDNTQDGAVNWSCEKPNLLNVAVTRAKKEFYVIGDMQRIQMKPFYETIFKERNVK------------------ |
2WJY Chain:A ((2-799)) | --KDLPIHACSYC-----GIHDPACVVYCNTSKKWFCNGRGNTSGSHIVNHLVRAKCKEVTLHKDGPLGETVL-----ECYNCGCRNVFLLGFI-------PVVVLLCRQPCASQSSWQPLIQDRCFLSWLVKIPSEQEQLRARQITAQQINKLEELWKENPSATLEDEPQHVLLR-----------------------------YEDAYQYQNIFGPLVKLEADYDKKLKESQTQDNI-------TVRWDLGLNKKRIAYFTLPKTDSRLMQGDEICLRY-----------------------------------------------KGDLAPLWKGIGHVIKVPDN---------YGDEIAIELRSSVGAPVEVTHNFQVDFVWKS----------TSFDRMQSALKTFAV------------------DETSVSGYIYHKLLGHEVEDVIIKCQLPKRFTAQGLPDL---NHSQVYAVKTVLQ-------------------RPLSLIQGPPGTGKTVTSATIVYHLARQGN---------GPVLVCAPSNIAVDQLTEKIHQTGLKVVRLCA-----------KSREAIDSPVSFLALHNQIRNMDSMPELQKLQQLKDETGELSSADEKRYRALKRTAERELLMNAD-----------------------------------------------------------------------------------------VICCTCVGAGD--PRLAKMQFRSILIDESTQATEPECMVPVVLGAKQLILVGDHCQLGPVVM-----------------------------CKKAAKAGLSQSLFERLVVLGIRPIRLQVQYRMHPALSAFPSNIFYEGSLQNGVTAADRVKKGFDFQWPQPDKPMFFYVTQGQEEIASSGTSYLNRTEAANVEKITTKLLKAGAKPDQIGIITPYEGQRSYLVQYMQFS-------GSLHTKLYQEVEIASVDAFQGRE--KDFIILSCVRANEHQGIGFLNDPRRLNVALTRARYGVIIVGNPKALSKQPLWNHLLNYYKEQKVLVEGPLNNLRESLMQF |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WJY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 69207 for 6350 contacts (10.9/contact) +
2D Compatibility (PS) -76815 + (NN) -10009 + (LL) 22560
1D Compatibility (HY) -18400 + (ID) 5000
Total energy: -18457.0 ( -2.91 by residue)
QMean score : 0.235
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