Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTFEKETVLKTLFPEDVLSIAKGLTDGEVEFLQQVDSLLESNYRENINQHWIDATVP-EDYFKDLGELNYFNNPLLYKDRPNAKMPSQLFQFFMSYLLARFDISLATLLGVHQGLGHNTFYFGGSKEQIAKYVPKLLSHELRTCFALTEPEHGSDVAGGLETVAERQGDTWVINGEKKWIGGAHVSDVIPVFAVNKKTGKPHCFVVRPEQDGVDIEVIDNKIALRIVPNALIKLTNVKVDEADRLQNITSFKDIAKILYSTRAGVAYMATGGMAGALRATLDYVTERKQFGKPISKYQLIQEKLAMMQGNLAQAMATCAQLANMQAHGEYDEVATSTAKMMNALRLRETVAMGRGITGGNGILADDYDIARFFSDAEAIYTYEGTHEINALVIGRALTGDSAFV |
3SF6 Chain:A ((21-402)) | --------------DDLIGINAVLSAEEREIRDTVRSVVQRRIKPHIASWYEDGELPARELAVELGELGLLGMHL--KGYGCAGMSAVAYGLACLELEA-GDSGIRSLVSVQGSLAMYAIHAFGSDEQKDQWLPDMASGHRIGCFGLTEPDHGSDPAG-MRTRATRSGDDWILTGTKMWITNGSVADVAVVWARTDEGIRG--FVVPTDTPGFTANTIKSKMSLRASVTSELVLDGVRLPDSARLPGATSLGAPLRCLNEARFGIVFGALGAARDCLETALAYACSREQFDRPIGGFQLTQQKLADMTLEYGKGFLLALHLGRQKDAGELAPEQVSLGKLNNVREAIEIARTARTVLGASGITG-EYPVMRHANNLESVLTYEGTSEMHTLIIGQALTGVGAF- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SF6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -199736 for 3442 contacts (-58.0/contact) +
2D Compatibility (PS) -41472 + (NN) -19001 + (LL) 1780
1D Compatibility (HY) -18400 + (ID) 6000
Total energy: -282829.0 ( -82.17 by residue)
QMean score : 0.539
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