Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAKPEVSLVREASRQIVAGGSAGLVEICLMHPLDVVKTRFQIQRCA---TDPNSYKSLVDSFRMIFQMEGLFGFYKGILPPILAETPKRAVKFFTFEQYKKL-LGYVSLSPAL--TFA---IAGLGSGLTEAIVVNPFEVVKVGLQANRNTFAEQPSTVGYARQIIKK-EGWGLQGLNKGLTATLGRHGVFNMVYFGFYYNVKNMIPVNKD-PILEFWRKFGIGLLSGTIASVINIPFDVAKSRIQGPQPVPG-EIKYRTCFKTMATVYQEEGILALYKGLLPKIMRLGPGGAVMLLVYEYTYSWLQENW |
2C3E Chain:A ((9-291)) | --------------KDFLAGGVAAAISKTAVAPIERVKLLLQVQHASKQISAEKQYKGIIDCVVRIPKEQGFLSFWRGNLANVIRYFPTQALNFAFKDKYKQIFLGGVDRHKQFWRYFAGNLASGGAAGATSLCFVYPLDFARTRLAADVGKGAAQREFTGLGNCITKIFKSDGLRGLYQGFNVSVQGIIIYRAAYFGVYDTAKGMLPDPKNVHIIVSWM---IAQTVTAVAGLVSYPFDTVRRRMMMQSGRKGADIMYTGTVDCWRKIAKDEGPKAFFKGAWSNVLR-GMGGAFVLVLYDEI-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C3E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -38729 for 2005 contacts (-19.3/contact) +
2D Compatibility (PS) -27525 + (NN) -1350 + (LL) 2168
1D Compatibility (HY) -14400 + (ID) 3750
Total energy: -83586.0 ( -41.69 by residue)
QMean score : 0.147
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