Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -----------------------------------------------------------------MSDKLSQEQIDALLSQMSEGKVVDEST----EIGDFGRFHPYDFHKPEKFGAEHLESLKTIASAFTKK---------SMEFVSQRIRIPIHTEATLADQVSFASGYIETMPNDSYIFCIIDLGN----PELGQIIIE------LDLAYIIYIHECLSGGNPKRKLSERRLLSVFEELTLKSILEKFCEALKDSFKSVHPISPEIVNIETNPALLRVTSPNDMMALVSVDIKSEFWISTMRIGVPFFSVEEIMNKLENVVEYTFDKRRNFDAEVE--QELHQVEKEARIRVGEIKTTWKELNKLEVGDV--------LLTETHIRDTLKGYVTE-----KWKFECYMGKSGNQKAV---KFMRHTGRTEQER----------- |
4L6Y Chain:A ((6-454)) | RRSEVLAEESIVCLQKALNHLREIWELIGIPEDQRLQRTEVVKKHIKELLDMMIAEEESLKERLIKSISVCQKELNTLCSELHVEPFQEEGETTILQLEKDLRTQVELMRKQKKERKQELKLLQEQDQELCEILCMPHYDIDSASVPSLEELNQFRQHVTTLRETKASRREEFVSIKRQIILCMEELDHTPDTSFERDVVCEDEDAFCLSLENIATLQKLLRQLEMQKSQNEAVCEGLRTQIRELWDRLQIPEEEREAVATIMSGSKA--KVRKALQLEVDRLEELKMQNMKKVIEAIRVELVQYWDQCFYSQEQRQAFAPFCAEYTESLLQLHDAEIVRLKNYYEVHKELFEGVQKWEETWRLFLEFERKASDPNRRGGNLLKEEKQRAKLQKMLPKLEEELKARIELWEQEHSKAFMVNGQKFMEYVAEQWEMHRLEKERAKQER |
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General information:
TITO was launched using:
| RESULT:
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Template: 4L6Y.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -11143 for 1814 contacts (-6.1/contact) +
2D Compatibility (PS) -33705 + (NN) 124 + (LL) 396
1D Compatibility (HY) -4400 + (ID) 2700
Total energy: -51428.0 ( -28.35 by residue)
QMean score : 0.137
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