Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKEVNYREDDWREAKSALAPFAAANWVGGLFNNLEKVSKNMEEAEEDVQELDSDHAISFQHTNYRGKYSAIEDDLMVLYKFSCHAGEKMETLVDQPFYEKLDAFVDGMQDLSISTYSTTNRIGAKSKQTYTTTSGGSQVIESIKEGATIEDLMNGDNFYANQMQLQYRDWQRANPDQDVSKKDFQMGMLHSRAFEYKSIKDEQQEKEFWVNIVATVVIVGVSIFCPPAGLALAVGYGSLEAGSAISGKDWVSGRELSTEERALRGGLALLDIVPGVKALSTGAKAASAGSKLVRVGDNVLAGSKNVGKGTIDNGIQAGKQAMDLRLANAKKVSEAVQKKLTKDLDDIGTMAKTIQNKTKETFTLPPREQLAFARGGSIPEQSATGAAAIAAKKKLKDIMQNMDNLNVKGGGKDDIIEQNKSLKFTSL--EESEKWGIDGFSVWRNSLSSREIQAIRDYTDIWHYGNMNGYLRGSVEKLAPDNAERIKNLSSALEKAELPDNIILYRGTSSEILDNFLDL--KNLN--YQNLVGKTIEEKGFMSTTTISNQ--TFS-GNVTMKINAPKGSKGAYLAHFSETPEEAEVLFNIGQKMLIKEVTE--LNGKIEIIVDLL |
1QS1 Chain:A ((264-456)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KSLDFKNDINAEAHSWGMKNYEEWAKDLTDSQREALDGYAR-QDYKEINNYLRNQGGSGNEKLDAQIKNISDALGKKPIPENITVYRWCGMPEFGYQISDPLPSLKDFEEQFLNTIKEDKGYMSTSLSSERLAAFGSRKIILRLQVPKGSTGAYLSAIGGFASEKEILLDKDSKYHIDKVTEVIIKGVKRYVVD-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1QS1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -46300 for 1307 contacts (-35.4/contact) +
2D Compatibility (PS) -18971 + (NN) 1377 + (LL) 26620
1D Compatibility (HY) -11200 + (ID) 2800
Total energy: -51274.0 ( -39.23 by residue)
QMean score : 0.427
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