Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLWKKGLVAFLALTLIFQLIPGFASAADSRLKDGGEYQVQVNFYKDNTGKTTKESSEADKYIDHTATIKVENGQPYMYLTITNSTWWQTMAVSKNGTRPEKPAQADVYQDRYEDVQTVSTDAAKDTRVEKFKLSSLDDVIFSYMHIKVDAISYDHWYQVDLTIDPSTFKVISEPAVTTPVTLSDGIYTIPFVAKKANDDSNSSMQNYFNNPAWLKVKNGKKMVAMTVNDNKTVTALKTTLAGTLQDVKVVSEDKDANTRIVEFEVEDLNQPLAAHVNYEAPFN----GSVYKGQADFRYVFDTAKATAASSYPGSDETPPVVNPGETNPPVTKPDPGTTNPPVTTPPTTPSKPAVVDPKNLLNNHTYSIDFDVFKDGTTETSMMESYVMKPALIKVENNQPYVYLTLTNSSWIKTFQYKVNGVWKDMEVVSGDINKNTRTVKYPVKDGTANTDVKTHVLIEDMPGFSYDHEYTVQVKLNAATIKDITGKDVTLKEPVKKDILNTGNVASNNNAGPKLAKPDFDDTNSVQKTASKTEKNAKTNDSSSMVWYITLFGASFLYLAYRLKRKRLS |
2O6P Chain:A ((1-123)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSDSGTLNYEVYKYNTNDTSIANDYFNKPAKYIKKNGKLYVQITVNHSHWITGMSIEGHKE----NIISKNTAKDERTSEFEVSKLNGKIDGKIDVYIDEKVNGKPFKYDHHYNITYKFNGPTDVAG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2O6P.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -36925 for 841 contacts (-43.9/contact) +
2D Compatibility (PS) -12909 + (NN) 180 + (LL) 24376
1D Compatibility (HY) -4400 + (ID) 1500
Total energy: -31178.0 ( -37.07 by residue)
QMean score : 0.399
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