Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTEIQKPYDLKGRSLLKESDFTKAEFEGLIDFAITLKEYKKNGIKHHYLSGKNIALLFEKNSTRTRAAFTVASIDLGAHPEFLGKNDIQLGKKESVEDTAKVLGRMFDGIEFRGFSQQAVEDLAKFSGVPVWNGLTDDWHPTQMLADFMTIKENFGYLEGINLTYVGDGRNNIAHSLMVAGAMLGVNVRICTPKSLNPKEAYVDIAKEKASQYGGSIMITDNIAEAVENTDAIYTDVWVSMGEESEFEQRINLLKDYQVNQQMFDLT--GKDSTIFLHCLPAFHDTNTLYGQEIYEKYGLAEMEVTDQIFRSEHSKVFDQAENRMHTIKAVMAATLGS |
2W37 Chain:A ((19-352)) | --KDFRQNVFQGRSVLAEKDFSAAELEYLIDFGLHLKALKKAGIPHHYLEGKNIALLFEKSSTRTRSAFTTASIDLGAHPEYLGQNDIQLGKKESTSDTAKVLGSMFDGIEFRGFKQSDAEILARDSGVPVWNGLTDEWHPTQMLADFMTVKENFGKLQGLTLTFMGDGRNNVANSLLVTGAILGVNIHIVAPKALFPTEETQNIAKGFAEKSGAKLVITDDLDEGLKGSNVVYTDVWVSMGESNW-EERVKELTPYQVNMEAMKKTGTPDDQLIFMHCLPAFHNTDTQYGKEIKEKYGITEMEVTDEVFTSKYARQFEEAENRMHSIKAMMAATLG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2W37.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154317 for 2873 contacts (-53.7/contact) +
2D Compatibility (PS) -36644 + (NN) -18029 + (LL) 364
1D Compatibility (HY) -32400 + (ID) 10500
Total energy: -251526.0 ( -87.55 by residue)
QMean score : 0.609
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