Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTYPSLNFALGETIDMLRDQVRGFVAAELQPRAAQIDQDNQFPMDMWRKFGEMGLLGITVDEEYGGSALGYLAHAVVMEEISRASASVALSYGAHSNLCVNQIKRNGNAEQKARYLPALVSGEHIGALAMSEPNAGSDVVSMKLRADRVGDRFVLNGSKMWITNGPDAHTYVIYAKTDADKGAHGITAFIVERDWKGFSRGPKLDKLGMRGSNTCELIFQDVEVPEENVLGAVNGGVKVLMSGLDYERVVLSGGPVGIMQACMDVVVPYIHDRRQFGQSIGEFQLVQGKVADMYTALNASRAYLYAVAAACDRGETTRKDAAGVILYSAERATQMALDAIQILGGNGYINEFPTGRLLRDAKLYEIGAGTSEIRRMLIGRELFNETR |
2DVL Chain:B ((9-372)) | ---------------LVLDAVRRVAREVLYPLAPEYDRKAEYPWPQLKALAELGLLGMTTPEEWGGVGLDSVTWALALEELAAADPSVAVIVSVTSGLPQYMLLRFGSEAQKRRYLVPLARGEWIGAFCLTEPQAGSDAKSLRAEARRVKGGFVLNGVKSWITSAGHAHLYVVMARTE-----KGISAFLVEKGTPGLSFGRPEEKMGLHAAHTAEVRLEEVFVPEENLLGEEGRGLAYALAGLDSGRVGVAAQAVGIARGAFEIAKAYAEEREQFGKKLKEHQAIAFKIADMHVKIAAARALVLEAARKKDRGERFTLEASAAKLFASAAAVEVTREAVQVLGGYGYHRDYRVERYYRDAKVTEIYEGTSEIQRLVIARELYR--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DVL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -217166 for 3357 contacts (-64.7/contact) +
2D Compatibility (PS) -39462 + (NN) -13574 + (LL) 1204
1D Compatibility (HY) -23200 + (ID) 7100
Total energy: -299298.0 ( -89.16 by residue)
QMean score : 0.466
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