Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ------------MDIKAEIQKLAKEIGISKIGFTTADNFDYLEKSLRASVEE------GRNSGFEHK-------VIEDRIYPERLLESAKTIISIGVAYPHKLPQQ-----PQKTSYKRGKITPN--SWGLDYHYVVGEKLDRLSKGIEELCRDFPLQQKAMVDTGALVDTAVAQRAGIGFIGKNGL---VISKEYGSYMFLGELITNLEIEPDKPVDYDCGDCRRCLDACPTSCLIGDGSMNAKRCLSFQTQDKGMMDIE---FRKKIKTVIYGCDICQICCPYNKGINNPLATEIDPELAQPELIPFLSLSNGQFKEKFGMIAGSWRGKNILQRNAIIALANAHDKTAVVKLIEI-IDKNNNPIHTATAIWALGEIVKKPND-----EILEFMSNLTLKDEDSRKELELIR--HKWQF-------- |
4XD1 Chain:A ((21-417)) | MKLIIAGKNNIAVDVTKWIIKTISDIELYSVCNENDHGNDSFQLSFKKFCIQFNIPIISLEDAYHLEDAIFLSLEFDKIIHPSKF--THNRIFNIHFSYLPAYKGMYTSAWPILNNEQESGVTLHKIDHGIDTGAIIDQQKFPLD--IEETAKTLYLKYIKIGTEIVIKNLPALISGNYSIVEQSAIKSSYYSKKSIDY-------KNLMIDLNKTAHEILQQIRAFTFRDYQLPRIDDIDIFHGEILSSKSLSKPGTILEKNNYHLILSTIDYDIKLYS-------DNFDEILTACEDK--SPEFISKLLKTENILFEK-----------NHLGASPIIIAAYHGNMDVIEWLVSKGVNINDRNYKGTTVAMYFKDYMLRSGNYTGLENLINLGLDLFLKDNEGLSVFDYMRKNKNIELFNFMSTFN |
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General information:
TITO was launched using:
| RESULT:
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Template: 4XD1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -8778 for 2474 contacts (-3.5/contact) +
2D Compatibility (PS) -36218 + (NN) -14079 + (LL) 2036
1D Compatibility (HY) -18000 + (ID) 2800
Total energy: -77839.0 ( -31.46 by residue)
QMean score : 0.153
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