Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKFQLVTHFQPAGDQPQAIDSLVAGLNDNKRDQVLLGVTGSGKTFTMANVIARTNRPALIIAHNKTLAAQLYEEMKGFFPH---NAVEYFISYYDYYQPEAYLPQTDTYIEKDSVINERIDMLRYSAVCSLLERRDTIVVASVSCIYGLGSPESYL-SMTITLSTGDRIRINDFLNDLANLQYKRSDIRFERGYFRMRGDVIDIFPAYYEDKAWRLLLIGNEIEGISEINAITGNIIKCIDKITIFPNSYHITSRETLLRAVQPIREELNERLDYYYSQNKIVEAQRLEQRTNFDIEMMVATGTCK-GIENYSRYLYGMEAGDAPPTLFEYLPEDVILFVDESHVTVPQIGAMYNGNESRKKKLIDHGFRLPSAFDNRPLKFKEWESMRPQTIYISATPGKYELARTNNLFVEQVIRPTGITDPICIVKPAEAQVYDVVHEAQVTIKRGFCVLITTLTKKMAEKLAEHMSELNMKVSYLHSDISALERIDIVYKLRSKEIDVLIGVNLLREGLDIPECGLVAILDADKEGFLRSETSLIQTIGRAARNAESRAILYADKVTGSMDRALKETERRRKKQKKYSVLHNVLPKTIIKPISNTLKEKVVVKVTTIGMNKDTVSSLRKQMLAHAKNLEFEEAAKIKNIIGRINNL |
2B2N Chain:A ((26-282)) | -----------------------------------------ACATLVAEIAERHAGPVVLIAPDMQNALRLHDEISQFTDQMVMNLADWETLPYDSFSPH------------QDIISSRL-----STLYQLPTMQRGVLIVPVNTLMQRVCPHSFLHGHALVMKKGQRLSRDALRTQLDSAGYRHVDQVMEHGEYATRGALLDLFPMGSE-LPYRLDFFDDEIDSLRVFDVDSQRTLEEVEAINLLPAHEFPTDKA----AIELFRSQWRDTFEV--------------KRDPEHIYQQVSKGTLPAGIEYWQPLFF----SEPLPPLFSYFPANTLLVNTGDLETSAERFQADTLARFENRGVDPMRPLLPPQSLWLRVDELFSELKN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2B2N.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154968 for 1901 contacts (-81.5/contact) +
2D Compatibility (PS) -26999 + (NN) -7141 + (LL) 25580
1D Compatibility (HY) -14400 + (ID) 2850
Total energy: -180778.0 ( -95.10 by residue)
QMean score : 0.490
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