Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFKIPLFKELKTDQWVKPFFKQYKVSLVIALFLGFMTFFSASALMFNSGYLISKSASLPSNILLVYVPIVLTRAFGIGRPVFRYIERLTSHNWVLRMTSQLRLKLYHSLESNAIFMKRDFRLGDVMGLLAEDINYLQNLYLRTIFPTIIAWLLYSFIIIATGFFSLWFALMMLLYLAIMIFLFPLWSILANGARQTREKELKNHLYTDLTDNVLGISDWIFSQRGQEYVALHERSESELMAIQKKIRSFNNRRALIVELVFGFLAILVI-------IWASNQFIGHRGGE--ANWIAAFVLTVFPLSEAFAGLSAAAQETNKYSDSIHRLNELSETYFETTQNQLPNKPYDFSVK-----------NLSFQYKPQEKW-VLHHLDLDIKEGEKIAILGRSGSGKSTLASLLRG--DLKASQGKITLGGADVSIVGD--CISNYIGVIQQAPYLFNTTLLNNIRIGNQDASEEDVWKVLERVGLKEMVTDLSDGLYTMVDEAGLRFSGGERHRIALARILLKDVPIVILDEPTVGLDPITE----QALLRVFMKELEGKTLVWITHHLKGIEHADRILFIENGQLELEGSPQELSQSSQRYRQLKAADDGDL |
3WMG Chain:A ((244-579)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GRRRYISDGLFFGLSMLVIFCVYALALWWGGQLIA-RGSLNLGNLLTAFFSAIL----GFMGVGQAAQVWPDVTRGLGAGGELFAMIDRVPQYRRPDPGAEVVTQPLVLKQGIVFENVHFRYPTRMNVEVLRGISLTIPNGKTVAIVGGSGAGKSTIIQLLMRFYDIEPQGGGLLLFDGTPAWNYDFHALRSQIGLVSQEPVLFSGTIRDNILYGKRDATDEEVIQALREANAYSFVMALPDGLDTEVGERGLALSGGQKQRIAIARAILKHPTLLCLDESTSALDAESEALVQEALDR--MMASDGVTSVVIAHRLSTVARADLILVMQDGVVVEQGNHSELMALGPSGFYYQLVEKQLA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WMG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -126926 for 2009 contacts (-63.2/contact) +
2D Compatibility (PS) -33029 + (NN) -15152 + (LL) 23424
1D Compatibility (HY) -24000 + (ID) 5400
Total energy: -181083.0 ( -90.14 by residue)
QMean score : 0.407
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