Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTFEKETVLKTLFPEDVLSIAKGLTDGEVEFLQQVDSLLESNYRENINQHWIDATVPEDYFKDLGELNYFNNPLLYKDRPNAKMPSQLFQFFMSYLLARFDISLATLLGVHQGLGHNTFYFGGSKEQIAKYVPKLLSHELRTCFALTEPEHGSDVAGGLETVAERQGDTWVINGEKKWIGGAHVSDVIPVFAVNKKTGKPHCFVVRPEQDGVDIEVIDNKIALRIVPNALIKLTNVKVDEADRL-QNITSFKDIAKILYSTRAGVAYMATGGMAGALRATLDYVTERKQFGKPISKYQLIQEKLAMMQGNLAQAMATCAQLANMQAHGEYDEVATSTAKMMNALRLRETVAMGRGITGGNGILADDYDIARFFSDAEAIYTYEGTHEINALVIGRALTGDSAFV |
2DVL Chain:B ((78-370)) | ----------------------------------------------------------------------------------------------------DPSVAVIVSVTSGLPQYMLLRFGSEAQKRRYLVPLARGEWIGAFCLTEPQAGSD-AKSLRAEARRVKGGFVLNGVKSWITSAGHAHLYVVMARTEKG--ISAFLVEKGTPGLSFGRPEEKMGLHAAHTAEVRLEEVFVPEENLLGEEGRGLAYALAGLDSGRVGVAAQAVGIARGAFEIAKAYAEEREQFGKKLKEHQAIAFKIADMHVKIAAARALVLEAARKKDRGERFTLEASAAKLFASAAAVEVTREAVQVLGGYG-YHRDYRVERYYRDAKVTEIYEGTSEIQRLVIAREL------- |
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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) -115007 for 2500 contacts (-46.0/contact) +
2D Compatibility (PS) -31909 + (NN) -12820 + (LL) 7648
1D Compatibility (HY) -10400 + (ID) 4800
Total energy: -167288.0 ( -66.92 by residue)
QMean score : 0.431
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