Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MELKKSPDGGWGWVIVFVSFLTQFLCYGSPLAVGVLYIEWLDAFGEGKGKTAWVGSLASGVGLLASPVCSLCVSSFGARPVTIFSGFMVAGGLMLSSFAPNIYFLFFSYGIVVGLGCGLLYTATVTITCQYFDDRRGLALGLISTGSSVGLFIYAALQRMLVEFYGLDGCLLIVGALALNILACGSLMRPLQSSDCPLPKKIAPEDLPDKYSIYNEKGKNLEENINILDKSYSSEEKCRITLANGDWKQDSLLHKNPTVTHTKEPETYKKKVAEQTYFCKQLAKRKWQLYKNYCGETVALFKNKVFSALFIAILLFDIGGFPPSLLMEDVARSSNVKEEEFIMPLISIIGIMTAVGKLLLGILADFKWINTLYLYVATLIIMGLALCAIPFAKSYVTLALLSGILGFLTGNWSIFPYVTTKTVGIEKLAHAYGILMFFAGLGNSLGPPIVGWFYDWTQTYDIAFYFSGFCVLLGGFILLLAALPSWDTCNKQLPKPAPTTFLYKVASNV |
3O0Y Chain:A ((24-93)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VISSKQQLASLYLQAKQSLFKQRALSATMYGLSQKDIG----QVISSDMEFYSPENEKQLRAELLSISNTIAGIKLDADITTKNNQQVMAGLTRYFAGEPNFNIGYIDTWMGLSPFIVNQINGPLIDIPRVMQNDQPITTEKEALDYIVRLGQFDKLAATIIEKQTADAAQNWLPSKVTLQGAIKYLKGFTSGSAEQHPFVNVFREKIEKVDSLTTEQKQSLITQVIA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3O0Y.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -20860 for 392 contacts (-53.2/contact) +
2D Compatibility (PS) -6870 + (NN) 1458 + (LL) 16992
1D Compatibility (HY) -2400 + (ID) 900
Total energy: -12580.0 ( -32.09 by residue)
QMean score : 0.091
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