Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRSNGSSSRRTFLRLAALLLPAGALLGSLPGVRAAARPRKLYLAGPDVFRADAVAHGEALKALCARYGFEGLYPLDNALPKQLAEPREQAAWIYRANIGLIERADAVLANLNFFRGAEPDSGTAFEVGYATALGKPVYGYVDDAGSYAERIRRHAPELIGEDPTRDRDGMTLEEFGLPLNLMLAVPATLVVGDAEQALRQLASRRHG |
4KXL Chain:A ((57-97)) | --------------------------------------------------------------------------------------------FIHEQNLNWLQQADVVVAEVT-----QPSLGVGYELGRAVALGKPILCLFRPQSGRVLSAMIRGAADGSRFQVWDYAEGEVETMLDRYFEAYLV---------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KXL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -5800 for 201 contacts (-28.9/contact) +
2D Compatibility (PS) -4313 + (NN) -1203 + (LL) 7660
1D Compatibility (HY) -4000 + (ID) 800
Total energy: -8456.0 ( -42.07 by residue)
QMean score : 0.191
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