Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLWKKGLVAFLALTLIFQLIPGFASAADSRLKDGGEYQVQVNFYKDNTGKTTKESSEADKYIDHTATIKVENGQPYMYLTITNSTWWQTMAVSKNGTRPEKPAQADVYQDRYEDVQTVSTDAAKDTRVEKFKLSSLDDVIFSYMHIKVDAISYDHWYQVDLTIDPSTFKVISEPAVTTPVTLSDGIYTIPFVAKKANDDSNSSMQNYFNNPAWLKVKNGKKMVAMTVNDNKTVTALKTTLAGTLQDVKVVSEDKDANTRIVEFEVEDLNQPLAAHVNYEAPFNGSVYKGQADFRYVFDTAKATAASSYPGSDETPPVVNPGETNPPVTKPDPGTTNPPVTTPPTTPSKPAVVDPKNLLNNHTYSIDFDVFKDGTTETSMMESYVMKPALIKVENNQPYVYLTLTNSSWIKTFQYKVNGVWKDMEVVSGDINKNTRTVKYPVKDGTANTDVKTHVLIEDMPGFSYDHEYTVQVKLNAATIKDITGKDVTLKEPVKKDILNTGNVASNNNAGPKLAKPDFDDTNSVQKTASKTEKNAKTNDSSSMVWYITLFGASFLYLAYRLKRKRLS |
3SZ6 Chain:A ((6-121)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TKLADGKYNIAFTVWKGDKDESSRMNRYFESPATLTVKNGKQYVSFKVKDSTSIKSFQVEKDGQFVETTVLSENKKDNTRVVEFEVADLSKKLNGKVKINI---PIINYNASYDIRFVF--------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SZ6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -53433 for 771 contacts (-69.3/contact) +
2D Compatibility (PS) -13132 + (NN) -2905 + (LL) 24440
1D Compatibility (HY) -8000 + (ID) 1750
Total energy: -54780.0 ( -71.05 by residue)
QMean score : 0.452
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