Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLWKKGLVAFLALTLIFQLIPGFASAADSRLKDGGEYQVQVNFYKDNTGKTTKESSEADKYIDHTATIKVENGQPYMYLTITNSTWWQTMAVSKNGTRPEKPAQADVYQDRYEDVQTVSTDAAKDTRVEKFKLSSLDDVIFSYMHIKVDAISYDHWYQVDLTIDPSTFKVISEPAVTTPVTLSDGIYTIPFVAKKANDDSNSSMQNYFNNPAWLKVKNGKKMVAMTVNDNKTVTALKTTLAGTLQDVKVVSEDKDANTRIVEFEVEDLNQPLAAHVNYEAPFNGSVYKGQADFRYVFDTAKATAASSYPGSDETPPVVNPGETNPPVTKPDPGTTNPPVTTPPTTPSKPAVVDPKNLLNNHTYSIDFDVFKDGTTETSMMESYVMKPALIKVENNQPYVYLTLTNSSWIKTFQYK-VNGVWKDMEVVSGDINKNTRTVKYPVKDGTANTDVKTHVLIEDMPGFSYDHEYTVQVKLNAATIKDITGKDVTLKEPVKKDILNTGNVASNNNAGPKLAKPDFDDTNSVQKTASKTEKNAKTNDSSSMVWYITLFGASFLYLAYRLKRKRLS |
2O1A Chain:A ((17-138)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QATSQPINFQVQKDGSSEKSHMDDYMQHPGKVIKQNNKYYFQTVLNNASFWKEYKFYNANNQELATTVVNDNKKADTRTINVAVEPGYKSLTTKVHIVV---PQINYNHRYTTHLEFEKAIPTLA------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2O1A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -42523 for 840 contacts (-50.6/contact) +
2D Compatibility (PS) -13408 + (NN) -1468 + (LL) 24056
1D Compatibility (HY) -4000 + (ID) 1700
Total energy: -39043.0 ( -46.48 by residue)
QMean score : 0.375
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