Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNFEKIETAYELILENIQTIENQLKTHIYDALIEQNSYYLGSSCDLDIVVVNNQKLRQLDLSQEEWRRTFQFIFIKSAQTEQLQANHQ-FTPDSIGFILLFLLEELTSQETVDVLEIGSGTGNLAQTLLNNSSKELNYMGIEVDDLLIDLSASIAEIIG-SSAQFIQEDAVRPQILKESDVIISDLPIGYYPNDDIAKRYAVSSSKEHTYAHHLLMEQSLKYLKKDGIAIFLAPE--NLLTS---PQSDLLKEWLKGYADVIAVLTLPETIFGSR-QNAKSIFVLKKQAEQKPETFVYPLTDLQNRENMANFIENFQKWSRENSHYSKNMIE |
| 2H1R Chain:A ((2-178)) | ---------------------------------------------------------------------------------------HLLKNPGILD---KIIYAAKIKSSDIVLEIGCGTGNLTVKLLPLA---KKVITIDIDSRMISEVKKRCLYEGYNNLEV----AIKTV-FPKFDVCTANIPYKISSPLIF-----------------KLIS--HRPLFKCAVLMFQKEFAERMLANVGDSNYSRLTINVKLFCKVTKVCNVNRSSFNPPPKVDSVIVKLIPKESSFLTNFDEWDNLLRICFSRKRKTLHAIFKRNAVLNMLEHNYK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2H1R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -75138 for 1234 contacts (-60.9/contact) +
2D Compatibility (PS) -17378 + (NN) -2771 + (LL) 10512
1D Compatibility (HY) -10000 + (ID) 1650
Total energy: -96425.0 ( -78.14 by residue)
QMean score : 0.382
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