Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAYDVARVRGLHPSLGDGWVHFDAPAGMLIPDSVATTVSTAFRRSGASTVGAHPSARRSAAVLDAAREAVADLVNADPGGVVLGADRAVLLSLLAEASSSRAGLGYEVIVSRLDDEANIAPWLRAAHRYGAKVKWAEVDIETGELPTWQWESLISKSTRLVAVNSASGTLGGVTDLRAMTKLVHDVGALVVVDHSAAAPYRLLDIRETDADVVTVNAHAWGGPPIGAMVFRDPSVMNSFGSVSTNPYATGPARLEIGVHQFGLLAGVVASIEYLAALDESARGSRRERLAVSMQSADAYLNRVFDYLMVSLRSLPLVMLIGRPEAQIPVVSFAVHKVPADRVVQRLADNGILAIANTGSRVLDVLGVNDVGGAVTVGLAHYSTMAEVDQLVRALASLG |
3CAI Chain:A ((3-397)) | --YDVARVRGLHPSLGDGWVHFDAPAGMLIPDSVATTVSTAFRRSGASTVGAHPSARRSAAVLDAAREAVADLVNADPGGVVLGADRAVLLSLLAEASSSRAGLGYEVIVSRLDDEANIAPWLRAAHRYGAKVKWAEVDIETGELPTWQWESLISKSTRLVAVNSASGTLGGVTDLRAMTKLVHDVGALVVVDHSAAAPYRLLDIRETDADVVTVNAHAWGGPPIGAMVFRDPSVMNSFGSVSTNPYATGPARLEIGVHQFGLLAGVVASIEYLAALDESARGSRRERLAVSMQSADAYLNRVFDYLMVSLRSLPLVMLIGRPEAQIPVVSFAVHKVPADRVVQRLADNGILAIANTGSRVLDVLGVNDVGGAVTVGLAHYSTMAEVDQLVRALASL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CAI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -297971 for 3546 contacts (-84.0/contact) +
2D Compatibility (PS) -43929 + (NN) -29156 + (LL) 180
1D Compatibility (HY) -54400 + (ID) 19750
Total energy: -445026.0 ( -125.50 by residue)
QMean score : 0.623
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