Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ---------MQNLLIQAENAIALLFLLNDKNLKGKIDLIYIDPPFATNNHFTITNGRATTISNSKNGDIAYSDKVVGMDFMEFLKQRLVLLKELLSEQGSIYVHTDYKIGHYVKVMLDEIFGIQNFRNEITRIKCNPKNFKRIGYGNIKDMILFYSKGKNPIFNEPKIPYTPQDLEKRFPKIDKDKRRYTTVPIHAPGEVESGECSKAFKGMLPPKGRHWRTDIATLERWDKEGLIEYSNNNNPRKKIYALEQVGKRVQDIWEFKDPQYPSYPTEKNAQLLDLIIKTSSNKDSIVLDCFCGSGTTLKSAFLLQRKFIGIDNSDLAIQACKNKLETITKDLFVSQNFYDFLVF--------- |
1BOO Chain:A ((3-322)) | NFGKKPAYTTSNGSMYIGDSLELLESFPE----ESISLVMTSPPFALQRKKEYGNL-------------------EQHEYVDWFLSFAKVVNKKLKPDGSFVVDFGGAYMKGVPAR---------------------SIYNFRVLIRMIDEVGFFLAEDFYWFNPSKLPSPIEWVNKRKIRVKDAVNTVWWFS----------------------KTEWPKSDITKVLASIPPNLLQISNSESNGQYLANCKLMGI-------------KAHPARFPAKLPEFFIRMLTEPDDLVVDIFGGSNTTGLVAERESRKWISFEMKPEYVAASAFRFLDNNISEEKITDIYNRILNGESLDLNSI |
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General information:
TITO was launched using:
| RESULT:
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Template: 1BOO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -33226 for 2084 contacts (-15.9/contact) +
2D Compatibility (PS) -28461 + (NN) -17524 + (LL) 4036
1D Compatibility (HY) -9200 + (ID) 2400
Total energy: -86775.0 ( -41.64 by residue)
QMean score : 0.333
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