Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LDEKTKIYDITIIGGGPVGLFAAFYAGMRNASVKIIESLPQ----LGGQLSTLYPEKYIYDIPGYP-SVRAQELVNNLIQQMKPFDPTVALEEAVQSVEKQVDGTFEIIT---K-KDTHYSKAIIITAGNGAFEPRRLDLPEAEQYEGTNIHYFINDL---SRFSGRRVAVCGGGDSAVDWALMLEKVASSVAIVHRRNAFRAHEHSVNNL-EKSSIAIKTPFIPTEVLGNGDKLTHITLQEVKGDTTETLEIDDFIINYGFVSSLGPIKNWGLELER-NSIVVNSK-METSIPGIYCAGDICTYDGKVKLIATGFGEAPTAVNNAMNFIDPKTRVQPMHSTSLFE |
3ITJ Chain:A ((21-336)) | -----VHNKVTIIGSGPAAHTAAIYLARAEIKPILYEGMMANGIAAGGQLTTTT---EIENFPGFPDGLTGSELMDRMREQSTKFGTEI-ITETVSKVDLSS-KPFKLWTEFNEDAEPVTTDAIILATGA---SAKRMHLPGEETYWQKGISACAVCDGAVPIFRNKPLAVIGGGDSACEEAQFLTKYGSKVFMLVRKDHLRASTIMQKRAEKNEKIEILYNTVALEAKGDGKLLNALRIKNTKKNEETDLPVSGLFYAIGHTPATKIVAG-QVDTDEAGYIKTVPGSSLTSVPGFFAAGDVQDSKY--RQAITSAGSGCMAALDAEKYLTS-------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ITJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -242706 for 2700 contacts (-89.9/contact) +
2D Compatibility (PS) -32146 + (NN) -11142 + (LL) 1980
1D Compatibility (HY) -9200 + (ID) 3800
Total energy: -297014.0 ( -110.01 by residue)
QMean score : 0.477
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