Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MYERKLVMQKSALFAPEKYNIISEI-------EKYSHIPDKKAILYHNTEGEDISVTYQQLIEQSNKVGNVLA-SHGLSKGDKVLIMMPRSIATYELYIAALKLGVAIIPCSEMLRTKDLQYRITHGEINAVIALEPFTVEFEKI-KEYDALTKFVIAGQK--DGWISLEAEKENASNKLEMADTTRDDMAILSYTSGTTGNPKAVTHCHGWGFAHLQMAPKH---WLCINEDDLVWATAAPGWQKWVWSPFLSVLGSGATAFV-FNGRFSPETYLELLQKYQINVLCCTPTEYRMMAKLQNLNDYDLTHLHSAVSAGEPLNREVVEQFKKYFNLTVRDGYGQTESTLLIGFLKDTPQRIGSMGKGIPGSSVTVVDDEGNSVPANTKGNIAV---PLDLPALFKGYYKEPERTAKAQTGKYYITGDLAHVDDDGYFWFEGRRDDIIISSGYTIGPFEVEDALTNHPAVKECAVVAKPHDIRGNIVKAFVILQDHTAGDD--TLVKELQQFVKNEVAPYKYPREIEFVDDLPKTNSGKIRRVELRDSEIEKWQQQKDSNQ |
3C5E Chain:A ((27-560)) | --------QWGHQEVPAKFNFASDVLDHWADMEKAGKRPPSPALWWVNGKGKELMWNFRELSENSQQAANVLSGACGLQRGDRVAVVLPRVPEWWLVILGCIRAGLIFMPGTIQMKSTDILYRLQMSKAKAIVAGDEVIQEVDTVASECPSLRIKLLVSEKSCDGWLNFKKLLNEASTTHHCVETGSQEASAIYFTSGTSGLPKMAEH----SYSSLGLKAKMDAGWTGLQASDIMWTISDTGWILNILCSLMEPWALGACTFVHLLPKFDPLVILKTLSSYPIKSMMGAPIVYRMLLQ-QDLSSYKFPHLQNCVTVGESLLPETLENWRAQTGLDIRESYGQTETGLTCMVSKTMKIKPGYMGTAASCYDVQIIDDKGNVLPPGTEGDIGIRVKPIRPIGIFSGYVDNPDKTAANIRGDFWLLGDRGIKDEDGYFQFMGRADDIINSSGYRIGPSEVENALMEHPAVVETAVISSPDPVRGEVVKAFVVLASQFLSHDPEQLTKELQQHVKSVTAPYKYPRKIEFVLNLPKTVTGKIQRAKLRDKE------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C5E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -294939 for 4410 contacts (-66.9/contact) +
2D Compatibility (PS) -56334 + (NN) -23348 + (LL) 2292
1D Compatibility (HY) -34400 + (ID) 9200
Total energy: -415929.0 ( -94.31 by residue)
QMean score : 0.548
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