Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKNYRKLIVLLLLTFFVIFMGAYAYTHIVEKRSLTSNTIEKTLPVVNQIKPQTIKEYQNYLTKVAKRNVLPVDIPQALNNEKVEITATDGMQTFTWNDKNNPKQKVIFYVHGGSYIHQASELQYIFVNKLAKKLDAKVVFPIYPKAPTYNYSDAIPKIKKLYQNTLASVTSPKQIILVGESAGGGLALGLADNLVTEHIKQPKEIILISPWLDIATNNPKIEKVQKKDPLLKAWQLQQVAPYWANGKKNFKNPQVSPLYSSQFNKMAPISFFIGTHDIFYPDNQLLHQKLAKENIKHHYIVGQKMNHVY----PVLPIPEAETAFKQMLKIINH |
3FAK Chain:A ((81-291)) | --------------------------------------------------------------------------------------------------------KAILYLHGGGYVMGSINTHRSMVGEISRASQAAALLLDYRLAPEHPFPAAVEDGVAAYRWLLDQGFKPQHLSISGDSAGGGLVLAVLVSARDQGLPMPASAIPISPWADMTCTNDSFKTRAEADPMVAPGGINKMAARYLNG-ADAKHPYASPNFAN-LKGLPPLLIHVGRDEVLLDDSIKLDAKAKADGVKSTLEIWDDMIHVWHAFHPMLPEGKQAIVRVGEFMREQW |
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General information:
TITO was launched using:
| RESULT:
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Template: 3FAK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -111657 for 1809 contacts (-61.7/contact) +
2D Compatibility (PS) -21911 + (NN) -11344 + (LL) 8524
1D Compatibility (HY) -8800 + (ID) 2650
Total energy: -147838.0 ( -81.72 by residue)
QMean score : 0.567
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