Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTNPPWTVDVVVVGAGFAGLAAARELTRQGHEVLVFEGRDRVGGRSLTGRVA-GVPADMGGSFIGPTQDAVLALATELGIPTTPTHRDGRNVIQWRGSARSYRGTIPKL-SLTGLIDIGRLRWQFERIARGVPVAAPWDARRARELDDVSLGEWLRLVRATSSSRNLMAIMTRVTWGCEPDDVSMLHAARYVRAAGGLDRLLDVKNGAQQDRVPGGTQQIAQAAAAQLGARVLLNAAVRRIDRHGAGVTVT-SDQGQAEAGFVIVAIPPAHRVAIEFDPPLPPEYQQLAHHWPQGRLSKAYAAYSTPFWRASGYSGQALSD--EAPVFITFDVSPHADGPGILMGFVDA---RGFDSLPIEERRRDALRCFASLFGDE-ALDPLDYVDYRWGTEEFAPGGPTAAVPPGSWTKYGHWLREPVGPIHWASTETADEWTGYFDGAVRSGQRAAAEVAALL |
| 1S3E Chain:A ((3-453)) | -----NKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKKDYCGTMIIDGEEAPVAYTLDDTKPEGNYAAIMGFILAHKARKLARLTKEERLKKLCELYAKVLGSLEALEPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQPVDRIYFAGTETATHWSGYMEGAVEAGERAAREILHA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1S3E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -211515 for 4001 contacts (-52.9/contact) +
2D Compatibility (PS) -48007 + (NN) -29244 + (LL) 76
1D Compatibility (HY) -34000 + (ID) 8150
Total energy: -330840.0 ( -82.69 by residue)
QMean score : 0.520
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