Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLKREGKVQPYTKTLDGGWGWMIVIHFFLVNVFVMGMTKTFAIFFVVFQEEFEGTSEQIGWIGSIMSSLRFCAGPLVAIICDILGEKTTSILGAFVVTGGYLISSWATSIPFLCVTMGLLPGLGSAFLYQVAAVVTTKYFKKRLALSTAIARSGMGLTFLLAPFTKFLIDLYDWTGALILFGAIALNLVPSSMLLRPIHIKSENNSGIKDKGSSLSAHGPEAHATETHCHETEESTIKDSTTQKAGLPSKNLTVSQNQSEEFYNGPNRNRLLLKSDEESDKVISWSCKQLFDISLFRNPFFYIFTWSFLLSQLAYFIPTFHLVARAKTLGIDIMDASYLVSVAGILETVSQIISGWVADQNW-IKKYHYHKSYLILCGITNLLAPLATTFPLLMTYTICFAIFAGGYLALILPVLVDLCRNSTVNRFLGLASFFAGMAVLSGPPIAGWLYDYTQTYNGSFYFSGICYLLSSVSFFFVPLAERWKNSLT |
4IKW Chain:A ((23-115)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KGLF--TLFFTEFWERFSYYGMRAILVYYM--YYEVSKGG-LGLDEHLALAIMSIYGALVYMSGIIGGWLADRVFGTSRAVFYGGLLIMAGHIALAIPGGVAALFVSMALIVLGTGLLKPNVSSIVGDMYKPGDDRRDAGFSIFYMGINLGAFLAPLVVGTAGMKYNFHLGFGLAAVGMFLGLVVFVATRKKNLGLAGTYV |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IKW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -46751 for 475 contacts (-98.4/contact) +
2D Compatibility (PS) -9045 + (NN) 2761 + (LL) 19784
1D Compatibility (HY) -7600 + (ID) 1450
Total energy: -42301.0 ( -89.05 by residue)
QMean score : 0.087
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