Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKNYRKLIVLLLLTFFVIFMGAYAYTHIVEKRSLTSNTIEKTLPVVNQIKPQTIKEYQNYLTKVAKRNVLPVDIPQALNNEKVEITATDGMQTFTWNDKNNPKQKVIFYVHGGSYIHQASELQYIFVNKLAKKLDAKVVFPIYPKAPTYNYSDAIPKIKKLYQNTLASV-TSPKQIILVGESAGGGLALGLADNLVTEHIKQPKEIILISPWLDIATNNPKIEKVQKKDPLLKAWQLQQVAPYWANGKKNFKNPQVSPLYSSQFNKMAPISFFIGTHDIFYPDNQLLHQKLAKENIKHHYIVGQKMNHVYPVLPI--PEAETAFKQMLKIINH |
3K6K Chain:A ((59-306)) | ---------------------------------------------------------------------------------ELTLTDLGGVPCIRQATDG-AGAAHILYFHGGGYISGSPSTHLVLTTQLAKQSSATLWSLDYRLAPENPFPAAVDDCVAAYRALLKTAGS-ADRIIIAGDSAGGGLTTASMLKAKEDGLPMPAGLVMLSPFVDLTLSRWSNSNLADRDFLAEPDTLGEMSELYVG-GEDRKNPLISPVYA-DLSGLPEMLIHVGSEEALLSDSTTLAERAGAAGVSVELKIWPDMPHVFQMYGKFVNAADISIKEICHWISA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K6K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -132777 for 2274 contacts (-58.4/contact) +
2D Compatibility (PS) -26150 + (NN) -16956 + (LL) 6956
1D Compatibility (HY) -15600 + (ID) 2500
Total energy: -187027.0 ( -82.25 by residue)
QMean score : 0.545
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