Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MANSSKERLCGAGAPLGHANGFPPSVYPFAFSGGIRRSPPFEVLANGGFFRSFPTDLPKEMASLSLTMGAAERSAHSDCISTVETQSTSSEEMVPSSPSPPPPPRVYKPCFVCNDKSSGYHYGVSSCEGCKGFFRRSIQKNMVYTCHRDKNCQINKVTRNRCQFCRLQKCFQVGMSKEAVRNDRNKKKKEIKEEVVLPDSYEMPPEMEELIQKVSKAHQETFPSLCQLGKYTTNSSADQRVQLDLGLWDKFSELSTKCIIKIVEFAKRLPGFTTLTIADQITLLKSACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFSFADQLLPLEMDDTETGLLSAICLICGDRMDLEEPEKVEKLQEPLLEALKFYARRRRPDKPYMFPRMLMKITDLRGISTKGAERAITLKLEIPGPMPPLIREMLENPEAFEDGAATPKPSERSSSESSNGSPTGEDSSGSKTP |
3LBD Chain:A ((26-262)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LSPQLEELITKVSKAHQETFPSLCQLGKYTTNSSADHRVQLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLSIADQITLLKAACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFAGQLLPLEMDDTETGLLSAICLICGDRMDLEEPEKVDKLQEPLLEALRLYARRRRPSQPYMFPRMLMKITDLRGISTKGAERAITLKMEIPGPMPPLIREMLEN------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LBD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -129852 for 1898 contacts (-68.4/contact) +
2D Compatibility (PS) -25682 + (NN) -18673 + (LL) 8332
1D Compatibility (HY) -35200 + (ID) 10950
Total energy: -212025.0 ( -111.71 by residue)
QMean score : 0.787
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