Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKEVNYREDDWREAKSALAPFAAANWVGGLFNNLEKVSKNMEEAEEDVQELDSDHAISFQHTNYRGKYSAIEDDLMVLYKFSCHAGEKMETLVDQPFYEKLDAFVDGMQDLSISTYSTTNRIGAKSKQTYTTTSGGSQVIESIKEGATIEDLMNGDNFYANQMQLQYRDWQRANPDQDVSKKDFQMGMLHSRAFEYKSIKDEQQEKEFWVNIVATVVIVGVSIFCPPAGLALAVGYGSLEAGSAISGKDWVSGRELSTEERALRGGLALLDIVPGVKALSTGAKAASAGSKLVRVGDNVLAGSKNVGKGTIDNGIQAGKQAMDLRLANAKKVSEAVQKKLTKDLDDIGTMAKTIQNKTKETFTLPPREQLAFARGGSIPEQSATGAAAIAAKKKLKDIMQNMDNLNVKGGGKDDIIEQNKSLKFTSLEESEKWGIDGFSVWRNSLSSREIQAIRDYTDIWHYGNMNGYLRGSVEK---LAPDNAERIKNLSSALEKAELPDNIILYRGTSSEILDNFLD------LKNLN-------YQNLVGKTIEEKGFMSTTTISNQTFS-GNVTMKINAPKGSKGAYLAHFSETPEEAEVLFNIGQKMLIKEVTE--LNGKIEIIVDLL |
3BW8 Chain:A ((14-216)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YADSFKEFTNIDEARAWGDKQFAKY--KLSSSEKNALTIYTR-N-AARINGPLRANQGNTNGLPADIRKEVEQIDKSFTKMQTPENIILFRGDDPGYLGPDFENTILNRDGTINKAVFEQVKLRFKGKDRKEYGYISTSLVNGSAFAGRPIITKFKVLDGSKAGYIEPISTFKGQLEVLLPRSSTYTISDMQIAPNNKQIIITALLK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BW8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -61460 for 1385 contacts (-44.4/contact) +
2D Compatibility (PS) -19352 + (NN) -165 + (LL) 26188
1D Compatibility (HY) -8000 + (ID) 2500
Total energy: -65289.0 ( -47.14 by residue)
QMean score : 0.418
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