Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRPYYIAIVGSGPSAFFAAASLLKAADTTEDLDMAVDMLEMLPTPWG-LVR--SGVAPDHPKIKSISKQFEKTAEDPRFRFFGNVVVG------EHVQPG-ELSERYDAVIYAVGAQSDRMLNIPGEDLPGSIAAVDFVGWYNAHPHFEQVSPDLSGARAVVIGNGNVALDVARILLTDPDVLARTDIADHALESLRPRGIQEVVIVGRRGPLQAAFTTLELRELADLDGVDVVIDPAELDGITDEDAAAVGKVCKQNIKVLRGYADREPRPGHRRMVFRFLTSPIEIKGKRKVERIVLGRNELVSDGSGRVAAKDTGEREELPAQLVVRSVGYRGVPTP----GLPFDDQSGTIPNVGGRINGSPNEYVVGWIKRGPT--------GVIGTNKKDAQDTVDTLIKNLGNAKEGAECKSFPEDHADQVADWLAARQPKLVTSAHWQVIDAFERAAGEPHGRPRVKLASLAELLRIGLG |
3EF6 Chain:A ((3-310)) | ---THVAIIGNGVGGFTTAQALRAEG-----FEGRISLIGDEPHLPYDRPSLSKAVLDGSLE-RPPILAEADWYGEARIDMLTGPEVTALDVQTRTISLDDGTTLSADAIVIATGSR-ARTMALPGSQLPGVVTLRTYGDVQVLRDS------WTSATRLLIVGGGLIGCEVATTARK--------------------LG-LSVTILEAGDELLVRVL------------------GR------------------RIGAWLRGLL------TELGVQVELGTGVVGFSGEGQLEQVMAS------------------DGRSFVADSALICVGAEPADQLARQAGLACD--RGVIVDHCGATL-AKGVFAVGDVASWPLRAGGRRSLETYMNAQRQAAAVAAAILGKN---------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EF6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -150566 for 2382 contacts (-63.2/contact) +
2D Compatibility (PS) -30897 + (NN) -17488 + (LL) 9624
1D Compatibility (HY) -6800 + (ID) 2500
Total energy: -198627.0 ( -83.39 by residue)
QMean score : 0.432
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