Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLTIKDIHALEVMDSRGNPTIQASVILSDNTKASAIVPSGASTGKREALELRDNDKTRFLGKGVLRACENVNSVIKHHLI--GLEATNQAFVDERLRALDGTPNYANLGANAVLGVSMALARASAKALNLPLYRY---LGGANALTLPVPMLNIINGGTHANNSIDFQEYMIMPLGFESFKEALRASAEVYHTLKKLLDEK--NQLTSVGDEGGFAPNFNNNVEPLEIISQAIEKAGYKLGEEIALALDVASSELV-DEHFNYHLKGE---NKILDSHELVAYYKELVAKYPIVSIEDGLSEDDWEGWAFLSKELGRQIQLVGDDLFVTNASILQKGIEKNVANAILIKPNQIGTISETLETIRLAKHHAYQCVISHRSGESEDSFIADFAVALNTGEIKTGSTARSERIAKYNRLLEIEHELKGGIYIGKELFKHG |
3UCC Chain:A ((1-416)) | --SIQKIWAREILDSRGNPTVEVDLYTAKGLFRAA-VPSGASTGIYEALELRDGDKQRYLGKGVLKAVDHINSTIAPALISSGLSVVEQEKLDNLMLELDGTENKSKFGANAILGVSLAVCKAGAAERELPLYRHIAQLAGNSDLILPVPAFNVINGGSHAGNKLAMQEFMILPVGAESFRDAMRLGAEVYHTLKGVIKDKYGKDATNVGDEGGFAPNILENSEALELVKEAIDKAGYT--EKIVIGMDVAASEFYRDGKYDLDFKSPTDPSRYITGDQLGALYQDFVRDYPVVSIEDPFDQDDWAAWSKFTANVG--IQIVGDDLTVTNPKRIERAVEEKACNCLLLKVNQIGSVTEAIQACKLAQENGWGVMVSHRSGETEDTFIADLVVGLCTGQIKTGAPCRSERLAKYNQLMRIEEELGDEARFAGHNFRNP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UCC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157293 for 3819 contacts (-41.2/contact) +
2D Compatibility (PS) -44334 + (NN) -23739 + (LL) 812
1D Compatibility (HY) -40400 + (ID) 10100
Total energy: -275054.0 ( -72.02 by residue)
QMean score : 0.565
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