Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSDNSTGTTKSRSNVDDVQAHYDLSDAFFALFQDPTRTYSCAYFERDDMTLHEAQVAKLDLTLGKLGLEPGMTLLDVGCGWGSVMKRAVERYDVNVVGLTLSKNQHAYCQQVLDKVDTNRSHRVLLSDWANFSEPVDRIVTIEAIEHFGFERYDDFFKFAYNAMPADGVMLLHSITGLHVKQVIERGIPLTMEMAKFIRFIVTDIFPGGRLPTIETIEEHVTKAGFTITDIQSLQPHFARTLDLWAEALQAHKDEAIEIQSAEVYERYMKYLTGCAKAFRMGYIDCNQFTLAK |
1KPG Chain:A ((6-287)) | -----------KPHFANVQAHYDLSDDFFRLFLDPTQTYSCAYFERDDMTLQEAQIAKIDLALGKLGLQPGMTLLDVGCGWGATMMRAVEKYDVNVVGLTLSKNQANHVQQLVANSENLRSKRVLLAGWEQFDEPVDRIVSIGAFEHFGHERYDAFFSLAHRLLPADGVMLLHTITGLHPKEIHERGLPMSFTFARFLKFIVTEIFPGGRLPSIPMVQECASANGFTVTRVQSLQPHYAKTLDLWSAALQANKGQAIALQSEEVYERYMKYLTGCAEMFRIGYIDVNQFTCQK |
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General information:
TITO was launched using:
| RESULT:
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Template: 1KPG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -217653 for 2401 contacts (-90.7/contact) +
2D Compatibility (PS) -30653 + (NN) -11866 + (LL) 16
1D Compatibility (HY) -36400 + (ID) 9500
Total energy: -306056.0 ( -127.47 by residue)
QMean score : 0.609
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